id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
70,400 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][C][Branch1][C][F][C][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][C][Ring2][Ring1][C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(N)C(F)C1",
"O=C(Cl)OCc1ccccc1",
"CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(F)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl.O .",
"role": "assistant"
}
] | |
70,401 | {
"selfies": [
"[C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]",
"[C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"C=Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)OCC)cn2-c1ccc(F)cc1F",
"C=Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CC(=O)O .",
"role": "assistant"
}
] | |
70,402 | {
"selfies": [
"[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][Branch2][Ring1][P][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][=O][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring2][C]",
"[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][Branch2][Ring1][C][C][N][C][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][N][Branch1][C][C][C][Ring1][P][=N][Ring2][Ring1][O]"
],
"smiles": [
"CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(=O)OC(C)(C)C)C(C(C)C)C3=O)n(C)c2n1",
"CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCNC(C(C)C)C3=O)n(C)c2n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,403 | {
"selfies": [
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Cl]",
"[O][=C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][C][C][C][C][Ring1][Branch1]",
"[O][=C][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][O][C][C][C][C][Ring1][Branch1]"
],
"smiles": [
"O=C1CCC(=O)N1Cl",
"O=C1Nc2cc(Br)ccc2C12CCCC2",
"O=C1Nc2cc(Br)c(Cl)cc2C12CCCC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,404 | {
"selfies": [
"[C][N][Branch1][P][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][N][Ring1][Branch2][C][C][C][O][C][Ring1][Ring2]",
"[C][N][Branch1][=N][C][C][=C][C][Branch1][C][N][=N][N][Ring1][=Branch1][C][C][C][O][C][Ring1][Ring2]"
],
"smiles": [
"CN(Cc1cc([N+](=O)[O-])nn1C)C1COC1",
"CN(Cc1cc(N)nn1C)C1COC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,405 | {
"selfies": [
"[C][O][C][=C][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]",
"[C][O][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]"
],
"smiles": [
"COc1cc(CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1CC1COC(C)(C)O1",
"COc1cc(CO)c([N+](=O)[O-])cc1CC1COC(C)(C)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,406 | {
"selfies": [
"[F][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"Fc1ccccn1",
"O=Cc1ccc(O)cc1",
"O=Cc1ccc(Oc2ccccn2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,407 | {
"selfies": [
"[C][=C][O][C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][=C][O][C][C][C][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N]"
],
"smiles": [
"C=COCC1CCC(CO)CC1",
"CS(=O)(=O)Cl",
"C=COCC1CCC(COS(C)(=O)=O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,408 | {
"selfies": [
"[C][O][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][N][=C][Ring1][P][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][N][=C][Ring1][P][N]"
],
"smiles": [
"COCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cnc1[N+](=O)[O-]",
"COCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cnc1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CC(=O)O .",
"role": "assistant"
}
] | |
70,409 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]",
"[C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]"
],
"smiles": [
"COC(=O)c1ccc(-c2ccc(OC)c3c2CC(C)(C)O3)cc1",
"COc1ccc(-c2ccc(C(=O)O)cc2)c2c1OC(C)(C)C2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,410 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C]",
"[O][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][N][C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)cc(Cl)c2)C1",
"OC1(c2cc(F)cc(Cl)c2)CCNC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,411 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][O][Ring1][O][C][C][Ring2][Ring1][Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring1][P]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)N(S(C)(=O)=O)CCO3)CC1",
"CS(=O)(=O)N1CCOc2ccc(CN3CCNCC3)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,412 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][F]",
"[C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][F][C][=C][Ring1][#Branch2][O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1cc(C(C)=O)c(OCC23CC4CC(CC(C4)C2)C3)cc1F",
"CC(=O)c1cc(C(=O)O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,413 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]",
"[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]"
],
"smiles": [
"COC(=O)COc1ccc2cc(-c3oc4ccccc4c3C(=O)c3ccccc3)ccc2c1",
"O=C(O)COc1ccc2cc(-c3oc4ccccc4c3C(=O)c3ccccc3)ccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.CO .",
"role": "assistant"
}
] | |
70,414 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]",
"[N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]"
],
"smiles": [
"O=[N+]([O-])c1ccc(F)c(-c2ccccc2)c1",
"Nc1ccc(F)c(-c2ccccc2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: O .",
"role": "assistant"
}
] | |
70,415 | {
"selfies": [
"[C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=N][N][C][=C][N][=C][Ring1][P][Ring1][Branch1][=N][Ring2][Ring1][Branch2]",
"[C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=N][N][C][=C][N][=C][Ring1][P][Ring1][Branch1][=N][Ring2][Ring1][Branch2]"
],
"smiles": [
"CC1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1",
"CC1CCCN1c1cccc(Nc2cc(-c3cccc(C=O)c3)nn3ccnc23)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,416 | {
"selfies": [
"[C][C][C][Branch1][Ring1][C][C][N][C][=C][C][Branch1][C][C][=N][C][Branch1][P][O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][C][=Branch1][C][=O][O][C]",
"[C][C][C][Branch1][Ring1][C][C][N][C][=C][C][Branch1][C][C][=N][C][Branch1][P][O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][C][=Branch1][C][=O][O]"
],
"smiles": [
"CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC",
"CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1COCCO1.O .",
"role": "assistant"
}
] | |
70,417 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring1]",
"[O][=C][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring1]"
],
"smiles": [
"COC(=O)CCCN1C(=O)C(=NNC(=O)c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)c2cc(I)ccc21",
"O=C(O)CCCN1C(=O)C(=NNC(=O)c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)c2cc(I)ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1.O .",
"role": "assistant"
}
] | |
70,418 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][=Branch2][O][C]",
"[N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Cl]",
"[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Cl][C][=C][Ring2][Ring1][Ring1][O][C]"
],
"smiles": [
"COc1ccc(C(=O)Cl)cc1OC",
"Nc1cc([N+](=O)[O-])ccc1Cl",
"COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
70,419 | {
"selfies": [
"[C][C][C][C][C][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Cl]",
"[C][C][C][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCCCC1CCNCC1",
"Cc1cccc2c1CCC(=O)N2CCCCl",
"CCCCC1CCN(CCCN2C(=O)CCc3c(C)cccc32)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CC#N .",
"role": "assistant"
}
] | |
70,420 | {
"selfies": [
"[C][C][Branch1][C][C][=O]",
"[N][#C][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][N]",
"[C][C][Branch1][C][C][N][C][C][N][Branch1][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][C][C][Ring1][=C]"
],
"smiles": [
"CC(C)=O",
"N#Cc1ccnc(N2CCNCC2)c1",
"CC(C)N1CCN(c2cc(C#N)ccn2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,421 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Ring1][=C][=O]",
"[C][C][Branch1][Ring1][C][O][N][C][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Ring1][=C][=O]"
],
"smiles": [
"CCOC(=O)C(C)N1CC(COc2cccc(Cl)c2)OC1=O",
"CC(CO)N1CC(COc2cccc(Cl)c2)OC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,422 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=N][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][#C][=Ring1][O][=C][C][=N][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=N]",
"[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][P][C][=C][C][Branch2][Ring2][Branch1][N][C][=C][C][=N][C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P]"
],
"smiles": [
"CS(=O)(=O)Cl",
"Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(C5CCNCC5)c34)ccn2)c1",
"Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(C5CCN(S(C)(=O)=O)CC5)c34)ccn2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,423 | {
"selfies": [
"[N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]",
"[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][=S]",
"[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"Nc1ccc(Oc2ncnc3c2cnn3C2CCCCO2)cc1",
"O=C(Cc1ccccc1)N=C=S",
"O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ncnc3c2cnn3C2CCCCO2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,424 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][=Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring2][#C]",
"[C][O][C][=C][C][=C][Branch2][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][C][N][C][=C][Ring2][Ring2][Branch1]"
],
"smiles": [
"COc1ccc(COC(=O)N2CC(SC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2CN2C(=O)c3ccccc3C2=O)cc1",
"COc1ccc(COC(=O)N2CC(SC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2CN)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO.ClCCl .",
"role": "assistant"
}
] | |
70,425 | {
"selfies": [
"[C][C][C][C][C][C][I]",
"[O][=C][Branch1][C][O][C][O]",
"[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][O]"
],
"smiles": [
"CCCCCCI",
"O=C(O)CO",
"CCCCCCOC(=O)CO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,426 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=C][Ring1][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2]",
"[Cl][C][C][N][C][C][C][C][C][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=C][Ring1][N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=C][Ring2][Ring1][P]"
],
"smiles": [
"COc1ccc(-c2ccc3cc(OC)ccc3c2)c(-c2cccc(O)c2)c1",
"ClCCN1CCCCC1",
"COc1ccc(-c2ccc3cc(OC)ccc3c2)c(-c2cccc(OCCN3CCCCC3)c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,427 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S]",
"[F][C][=Branch1][=Branch2][=C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring1][P]",
"[C][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring2][Ring1][=C][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring1][P][C][C][Ring2][Ring1][=Branch2][C][=N][Ring2][Ring2][C]"
],
"smiles": [
"Cc1ccc(NC(=O)Oc2ccccc2)cn1",
"FC(=C1CCNCC1)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1",
"Cc1ccc(NC(=O)N2CCC(=C(F)c3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CS(C)=O.O .",
"role": "assistant"
}
] | |
70,428 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"O=[N+]([O-])c1ccc(F)c(F)c1Nc1ccccc1",
"Nc1ccc(F)c(F)c1Nc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO.O .",
"role": "assistant"
}
] | |
70,429 | {
"selfies": [
"[C][O][C][=C][C][Branch1][#C][O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=C][C][Branch1][#C][O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N]"
],
"smiles": [
"COc1cc(OCCN2CCN(C)CC2)ccc1[N+](=O)[O-]",
"COc1cc(OCCN2CCN(C)CC2)ccc1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,430 | {
"selfies": [
"[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][C][C][C][C][C]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][C][Branch1][Ring1][C][C][C][C][C][C]"
],
"smiles": [
"CCCCC(CC)COc1ccccc1OCC(CC)CCCC",
"O=C1CCC(=O)N1Br",
"CCCCC(CC)COc1ccc(Br)cc1OCC(CC)CCCC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,431 | {
"selfies": [
"[N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][C][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][P][=C][NH1][C][Ring2][Ring2][C][=Ring2][Ring1][=Branch1]",
"[N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][Branch2][=C][C][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][P][=C][NH1][C][Ring2][Ring2][C][=Ring2][Ring1][=Branch1]"
],
"smiles": [
"NC(=O)c1cc(-c2cccc(CO)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12",
"NC(=O)c1cc(-c2cccc(C=O)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,432 | {
"selfies": [
"[C][C][Branch1][C][C][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]",
"[C][C][Branch1][C][C][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1]"
],
"smiles": [
"CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1",
"CC(C)N1CCC(N)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO.Cl .",
"role": "assistant"
}
] | |
70,433 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][=N]",
"[C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=N][Ring1][O][C][=C][Ring1][P]"
],
"smiles": [
"CCOC(=O)C=Cc1cccc(-c2ccc(C)cc2)n1",
"Cc1ccc(-c2cccc(C=CC(=O)O)n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CO .",
"role": "assistant"
}
] | |
70,434 | {
"selfies": [
"[C][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=N][Ring1][O]",
"[C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=N][Ring1][=Branch2]"
],
"smiles": [
"Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1",
"Cc1cc(Cl)c(N)c(Cl)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,435 | {
"selfies": [
"[C][C][=C][C][=C][C][=C][Branch1][O][C][#C][Si][Branch1][C][C][Branch1][C][C][C][C][=C][C][Ring1][N][=N][Ring1][S]",
"[C][#C][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O]"
],
"smiles": [
"Cc1ccc2cc(C#C[Si](C)(C)C)ccc2n1",
"C#Cc1ccc2nc(C)ccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,436 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]"
],
"smiles": [
"CCOC(=O)C=CC=Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O",
"O=C(O)C=CC=Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "[Na+].[OH-] .",
"role": "assistant"
}
] | |
70,437 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][C][Branch1][C][C][C]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][Branch1][=Branch1][C][Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1]"
],
"smiles": [
"COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2C(C)C",
"O=C1CCC(=O)N1Br",
"COc1cc2c(cc1Br)C(C(C)C)CN(C(=O)C(F)(F)F)CC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,438 | {
"selfies": [
"[C][I]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"CI",
"Cc1ccc(C(=O)O)c(Cl)n1",
"COC(=O)c1ccc(C)nc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
70,439 | {
"selfies": [
"[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch2][Ring1][#Branch2][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Ring2][Ring2][C]",
"[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][N][C][C][C][C][C][Branch1][C][N][C][Ring1][#Branch1][=N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"N#Cc1ccccc1Cn1c(C2CCCC(NC(=O)OCc3ccccc3)C2)nc2ccn(Cc3ccccc3)c(=O)c21",
"N#Cc1ccccc1Cn1c(C2CCCC(N)C2)nc2ccn(Cc3ccccc3)c(=O)c21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1.CCO .",
"role": "assistant"
}
] | |
70,440 | {
"selfies": [
"[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O]",
"[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=O]"
],
"smiles": [
"CCC(CC)(OC)c1cccnc1CO",
"CCC(CC)(OC)c1cccnc1C=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: ClCCl .",
"role": "assistant"
}
] | |
70,441 | {
"selfies": [
"[C][C][O][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]",
"[C][C][O][C][=N][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]"
],
"smiles": [
"CCOc1ncc([N+](=O)[O-])cc1C(=O)O",
"CCOc1ncc(N)cc1C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,442 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][N][=Ring1][=N]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][N][=Ring1][N]"
],
"smiles": [
"CCOC(=O)CCCCc1cc(-c2ccccc2OC)on1",
"CCOC(=O)CCCCc1cc(-c2ccccc2O)on1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,443 | {
"selfies": [
"[Br][C][C][Br]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O][C][C][Br]"
],
"smiles": [
"BrCCBr",
"O=[N+]([O-])c1ccc(F)c(F)c1O",
"O=[N+]([O-])c1ccc(F)c(F)c1OCCBr"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
70,444 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"[O][=C][Branch1][C][O][C][=C][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][O]"
],
"smiles": [
"CCOC(=O)c1cnc2ccc(Cl)cc2c1",
"O=C(O)c1cnc2ccc(Cl)cc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
70,445 | {
"selfies": [
"[C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][=C]",
"[C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][N]"
],
"smiles": [
"CCC(=O)N1CCC(=O)c2cc([N+](=O)[O-])ccc21",
"CCC(=O)N1CCC(=O)c2cc(N)ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,446 | {
"selfies": [
"[Br][P][Branch1][C][Br][Br]",
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][Cl]",
"[C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2][Cl]"
],
"smiles": [
"BrP(Br)Br",
"CCc1ccc(Cl)c(CO)c1Cl",
"CCc1ccc(Cl)c(CBr)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.CCOCC .",
"role": "assistant"
}
] | |
70,447 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCc1cccc(O)c1",
"O=[N+]([O-])c1ccc(Cl)cc1F",
"CC(C)(C)OC(=O)NCCc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,448 | {
"selfies": [
"[Br][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][O][C][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2]",
"[C][C][Branch1][C][O][C][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2]"
],
"smiles": [
"BrCCCc1ccccc1",
"CC(O)C(CCc1ccccc1O)n1cnc(C(N)=O)c1",
"CC(O)C(CCc1ccccc1OCCCc1ccccc1)n1cnc(C(N)=O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
70,449 | {
"selfies": [
"[C][C][Branch1][C][O][Branch2][Ring1][O][C][N][C][C][C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]",
"[C][C][Branch1][C][O][Branch1][Ring1][C][N][C][N][C][C][C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C]"
],
"smiles": [
"CC(O)(CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)CN1C(=O)c2ccccc2C1=O",
"CC(O)(CN)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CCO.CO .",
"role": "assistant"
}
] | |
70,450 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]",
"[N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"O=[N+]([O-])c1ccc(Cc2ccncc2)cc1",
"Nc1ccc(Cc2ccncc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,451 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1]",
"[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(N)CC1",
"Fc1ccccc1-c1nc(Cl)nc2ccc(Cl)cc12",
"CC(C)(C)OC(=O)N1CCC(Nc2nc(-c3ccccc3F)c3cc(Cl)ccc3n2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN1CCCC1=O .",
"role": "assistant"
}
] | |
70,452 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][N][=C][Ring1][#Branch2][C][C][=C][Ring1][P][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2]",
"[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N][F][C][=C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][Branch1][C][N][=O]"
],
"smiles": [
"COC(=O)C(C)c1cc(F)c(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1",
"Cc1nc(C)c(-c2ccc(-c3c(F)cc(C(C)C(=O)O)cc3F)cc2)nc1C(N)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CC(C)(C)O .",
"role": "assistant"
}
] | |
70,453 | {
"selfies": [
"[C][N]",
"[O][=C][Branch1][C][O][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]",
"[C][N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]"
],
"smiles": [
"CN",
"O=C(O)Cn1c(-c2ccc(F)cc2)nc2cccnc21",
"CNC(=O)Cn1c(-c2ccc(F)cc2)nc2cccnc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,454 | {
"selfies": [
"[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][C][=C][Ring1][=C][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N]",
"[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N]"
],
"smiles": [
"CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12",
"COC(=O)CC(N)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1",
"COC(=O)CC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCN(CC)CC .",
"role": "assistant"
}
] | |
70,455 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][C][Branch2][Ring2][=Branch2][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring2][Ring1][Branch2][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][C]"
],
"smiles": [
"CS(=O)(=O)Cl",
"OC(C1=NN(c2ccccc2Cl)C(c2ccc(N3CCNCC3)nc2)C1)(C(F)(F)F)C(F)(F)F",
"CS(=O)(=O)N1CCN(c2ccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)cn2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,456 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C=O)NC(=O)OC(C)(C)C",
"Cc1ccccc1N",
"Cc1ccccc1NCC(C)(C)NC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,457 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][N][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring1][P][F]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][F]"
],
"smiles": [
"Cc1ccc(N)c(Oc2cc(Cl)cc(C#N)c2)c1F",
"O=C1CCC(=O)N1Br",
"Cc1cc(Br)c(N)c(Oc2cc(Cl)cc(C#N)c2)c1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,458 | {
"selfies": [
"[C][O][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N]"
],
"smiles": [
"COCCOc1cccc(F)c1[N+](=O)[O-]",
"COCCOc1cccc(F)c1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,459 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][O][C][C][C][=C][Branch1][Ring2][C][C][O][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1][O][C][Branch1][C][C][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][O][C][C][C][=C][Branch1][N][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch1][O][C][Branch1][C][C][C]"
],
"smiles": [
"COC(=O)c1ccc(OCCc2c(CCO)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1OC(C)C",
"CS(=O)(=O)Cl",
"COC(=O)c1ccc(OCCc2c(CCOS(C)(=O)=O)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1OC(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,460 | {
"selfies": [
"[C][O][C][Cl]",
"[O][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]",
"[C][O][C][O][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]"
],
"smiles": [
"COCCl",
"Oc1c(Br)c(C(F)(F)F)cc2ccccc12",
"COCOc1c(Br)c(C(F)(F)F)cc2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,461 | {
"selfies": [
"[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"NCc1ccccc1",
"O=S(=O)(Cl)c1ccc(Br)cc1",
"O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be c1ccncc1 .",
"role": "assistant"
}
] | |
70,462 | {
"selfies": [
"[C][C][N][C][C]",
"[C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C]"
],
"smiles": [
"CCNCC",
"Cc1nnnn1CCCC(=O)O",
"CCN(CC)C(=O)CCCn1nnnc1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,463 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]",
"[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"BrCc1ccccc1",
"CC(=O)c1cc(Cl)ccc1O",
"CC(=O)c1cc(Cl)ccc1OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CC(C)=O .",
"role": "assistant"
}
] | |
70,464 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Ring1][=C]",
"[C][N][Branch1][C][C][C][C][C][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12",
"CN(C)CCc1cn(C(=O)OC(C)(C)C)c2ccc(OCc3ccccc3)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,465 | {
"selfies": [
"[Br][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=N]"
],
"smiles": [
"Brc1ccc(N2CCNCC2)cc1",
"CS(=O)(=O)Cl",
"CS(=O)(=O)N1CCN(c2ccc(Br)cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,466 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][Ring1][#Branch2][=O]",
"[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][Ring1][N][Ring2][Ring1][C]"
],
"smiles": [
"CCOC(=O)c1ccc2cc3n(c2c1)C(C)(C)CNC3=O",
"CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,467 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][N][C][Ring2][Ring1][Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=C][C][=C][C][=C][C][Branch2][Ring2][C][C][C][C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C]"
],
"smiles": [
"CS(=O)(=O)Cl",
"FC(F)(F)C(F)(F)C1=NN(c2ccccc2Cl)C(c2cccc(N3CCNCC3)c2)C1",
"CS(=O)(=O)N1CCN(c2cccc(C3CC(C(F)(F)C(F)(F)F)=NN3c3ccccc3Cl)c2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,468 | {
"selfies": [
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[O][=C][Branch1][C][Cl][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[O][=C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]"
],
"smiles": [
"Nc1ccccc1C(=O)O",
"O=C(Cl)Cc1ccc([N+](=O)[O-])cc1",
"O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,469 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][O][Ring1][#Branch1]",
"[Cl][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1]",
"[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Ring1][=C]"
],
"smiles": [
"CNC(=O)c1c(C)oc2cc(N)ccc12",
"Clc1ccnc(Cl)n1",
"CNC(=O)c1c(C)oc2cc(Nc3ccnc(Cl)n3)ccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,470 | {
"selfies": [
"[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][O][O]",
"[C][C][=C][C][Branch1][C][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O]"
],
"smiles": [
"Cc1cc([N+](=O)[O-])c(C)c(Cl)c1O",
"Cc1cc(N)c(C)c(Cl)c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO .",
"role": "assistant"
}
] | |
70,471 | {
"selfies": [
"[C][C][C][C][C][Br]",
"[C][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O]",
"[C][C][C][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]"
],
"smiles": [
"CCCCCBr",
"Cc1cc(O)c2ccccc2c1",
"CCCCCOc1cc(C)cc2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,472 | {
"selfies": [
"[C][I]",
"[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][#Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=N][O][=C][Ring2][Ring1][Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=N][O][C][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CI",
"COC(=O)CCCc1ccc(O)c(-c2cc(CCCC(=O)OC)ccc2O)c1",
"COC(=O)CCCc1ccc(O)c(-c2cc(CCCC(=O)OC)ccc2OC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
70,473 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]",
"[Cl][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][O][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(O)CC1",
"Clc1ccnc(Cl)n1",
"CC(C)(C)OC(=O)N1CCC(Oc2ccnc(Cl)n2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,474 | {
"selfies": [
"[Br][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]",
"[C][N][C]",
"[C][N][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]"
],
"smiles": [
"Brc1cc(Br)c2ccccc2n1",
"CNC",
"CN(C)c1cc(Br)c2ccccc2n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,475 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][O]",
"[C][C][Branch2][Ring1][P][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]"
],
"smiles": [
"COC(=O)C(C)(C)C(C)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12",
"CC(Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12)C(C)(C)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CO.O .",
"role": "assistant"
}
] | |
70,476 | {
"selfies": [
"[C][C][C][N]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][C]"
],
"smiles": [
"CCCN",
"CCOC(=O)C1=Cc2cc(Cl)c(F)cc2OC1C(F)(F)F",
"CCCNc1cc2c(cc1Cl)C=C(C(=O)OCC)C(C(F)(F)F)O2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,477 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Cl]",
"[O][=C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1ccc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)cc1Cl",
"O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)O)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
70,478 | {
"selfies": [
"[N-1][=N+1][=N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][F]",
"[N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][F]"
],
"smiles": [
"[N-]=[N+]=NCC1CN(C(=O)OCc2ccccc2)CC1F",
"NCC1CN(C(=O)OCc2ccccc2)CC1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,479 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=C][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C]",
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=C][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C]"
],
"smiles": [
"CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)n3)c2)c1",
"NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)n3)c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,480 | {
"selfies": [
"[C][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][C][C][O][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][=C][NH1][C][=Ring1][Branch1]",
"[C][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][#Branch1][C][C][C][C][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"CCC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCOCC1",
"O=C(NC1CC1)c1cc[nH]c1",
"CCC(C)(C)c1nc2cc(S(=O)(=O)n3ccc(C(=O)NC4CC4)c3)ccc2n1CC1CCOCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,481 | {
"selfies": [
"[Br][Br]",
"[C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]",
"[C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][Br]"
],
"smiles": [
"BrBr",
"CCCCC(C)C(O)CCc1ccc(O)c(O)c1",
"CCCCC(C)C(O)CCc1cc(O)c(O)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CC(=O)O .",
"role": "assistant"
}
] | |
70,482 | {
"selfies": [
"[C][N][Branch2][Ring1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N][Branch2][Ring1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CN(CC(O)c1ccc(C=O)cc1)C(=O)OC(C)(C)C",
"CN(CC(O)c1ccc(CO)cc1)C(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO .",
"role": "assistant"
}
] | |
70,483 | {
"selfies": [
"[C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][N][=C][Branch1][=N][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][O][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=O]",
"[C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][N][=C][Branch1][=N][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][O][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O]"
],
"smiles": [
"CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC(O)CC2CO)cc1-c1ccc(F)cc1C=O",
"CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC(O)CC2CO)cc1-c1ccc(F)cc1CO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,484 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N]",
"[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]"
],
"smiles": [
"CS(=O)(=O)OCCc1cccnc1",
"Cc1cccnc1C1CCCC(c2ncccc2C)N1",
"Cc1cccnc1C1CCCC(c2ncccc2C)N1CCc1cccnc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,485 | {
"selfies": [
"[C][O][C][C][Br]",
"[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][O][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"COCCBr",
"Oc1ccc(Br)cc1",
"COCCOc1ccc(Br)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CN(C)C=O.O .",
"role": "assistant"
}
] | |
70,486 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]",
"[C][C][N]",
"[C][C][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(=O)CC1",
"CCN",
"CCNC1CCN(C(=O)OC(C)(C)C)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,487 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Branch2][=Ring1][=C]",
"[O][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][=C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)c1c(OCC=C(C)C)ccc2c(=O)c(C)c(-c3ccccc3)oc12",
"O=Cc1ccc(Cl)cc1",
"CC(C)=CCOc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1C(=O)C=Cc1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,488 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring1][=C]",
"[C][I]",
"[C][O][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(O)(c2cccc(Cl)c2F)C1",
"CI",
"COC1(c2cccc(Cl)c2F)CCN(C(=O)OC(C)(C)C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
70,489 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S]",
"[O][C][C][C][C][N][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S]"
],
"smiles": [
"CCOC(=O)C1CCN(c2ccnc3ccccc23)CC1",
"OCC1CCN(c2ccnc3ccccc23)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,490 | {
"selfies": [
"[Br][Br]",
"[O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]",
"[O][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]"
],
"smiles": [
"BrBr",
"Oc1cccc(C(F)(F)F)c1",
"Oc1ccc(Br)c(C(F)(F)F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC(=O)O .",
"role": "assistant"
}
] | |
70,491 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][N][C][C][N][Ring1][=Branch1]",
"[C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][N][Ring1][#Branch2]"
],
"smiles": [
"CS(=O)(=O)Cl",
"CC1CNCCN1",
"CC1CN(S(C)(=O)=O)CCN1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,492 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][N]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O]"
],
"smiles": [
"COC(=O)c1cc(OC)cc(C(=O)OC)c1",
"COC(=O)c1cc(OC)cc(C(=O)O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.CO .",
"role": "assistant"
}
] | |
70,493 | {
"selfies": [
"[C][C][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=N][O]",
"[C][C][C][C][=C][Branch1][C][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#Branch2][O]"
],
"smiles": [
"CCCc1c(NC(C)=O)ccc(C(C)=O)c1O",
"CCCc1c(N)ccc(C(C)=O)c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,494 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][Cl][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O]",
"[C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][Cl][C][=C][Ring1][=C]",
"[C][O][C][=C][C][Branch2][Ring2][=Branch1][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][Branch1][=Branch1][O][C][C][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][Ring1][P][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][#C][Cl]"
],
"smiles": [
"COc1cc2cc3c(Nc4cc(OC)c(Cl)cc4Cl)c(C#N)cnc3cc2cc1O",
"Cc1ccc(S(=O)(=O)OCCCCl)cc1",
"COc1cc(Nc2c(C#N)cnc3cc4cc(OCCCCl)c(OC)cc4cc23)c(Cl)cc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
70,495 | {
"selfies": [
"[C][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[C][=C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]"
],
"smiles": [
"C=Cc1cccc([N+](=O)[O-])c1",
"C=Cc1cccc(N)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,496 | {
"selfies": [
"[N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"NC(c1ccccc1)C(O)c1ccccc1",
"O=C=Nc1ccc(Cl)cc1",
"O=C(Nc1ccc(Cl)cc1)NC(c1ccccc1)C(O)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,497 | {
"selfies": [
"[C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][O]",
"[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=N][N][O][=C][C][Branch1][C][Cl][=C][Ring1][O][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"Cc1cc(C#N)cc(Cl)c1OCCCC(=O)OC(C)(C)C",
"NO",
"Cc1cc(C(=N)NO)cc(Cl)c1OCCCC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,498 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch2][Ring2][Branch1][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][P][=O]",
"[C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][=O]"
],
"smiles": [
"CC(C)CC1(C(CCN2C(=O)c3ccccc3C2=O)C(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1=O",
"CC(C)CC1(C(CCN2C(=O)c3ccccc3C2=O)C(=O)O)CCN(Cc2ccccc2)C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,499 | {
"selfies": [
"[N][C][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]",
"[O][=C][Branch1][C][O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]"
],
"smiles": [
"NC1CCN(C(c2ccccc2)c2ccccc2)C1=O",
"O=C(O)CN(c1ccccc1)c1ccccc1",
"O=C(CN(c1ccccc1)c1ccccc1)NC1CCN(C(c2ccccc2)c2ccccc2)C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] |