id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
70,600 | {
"selfies": [
"[C][C][O][P][=Branch1][C][=O][Branch2][Ring1][O][C][C][C][=C][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][O][O][C][C]",
"[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CCOP(=O)(CCc1cc(Cc2ccc(CC)cc2)ccc1O)OCC",
"CCc1ccc(Cc2ccc(O)c(CCP(=O)(O)O)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": "<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"
}
] | |
70,601 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]",
"[N][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(-c2ccccc2)cc1",
"NC(CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(-c2ccccc2)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": "ClCCl .",
"role": "assistant"
}
] | |
70,602 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Br]",
"[O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)CBr",
"Oc1cccc(Br)c1",
"CCOC(=O)COc1cccc(Br)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> 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 CN(C)C=O .",
"role": "assistant"
}
] | |
70,603 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][C][C][S][C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][C][C][C][S][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"FC(F)(F)C(F)(F)CCCSCCCCOCc1ccccc1",
"OCCCCSCCCC(F)(F)C(F)(F)F"
]
} | [
{
"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"
}
] | |
70,604 | {
"selfies": [
"[Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]",
"[O][=C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"Clc1ccc(-c2ccccc2CN2CCC3(CC2)OCCO3)cc1",
"O=C1CCN(Cc2ccccc2-c2ccc(Cl)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": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1COCCO1.O .",
"role": "assistant"
}
] | |
70,605 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N]",
"[O][=C][N][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][N][=C][Ring2][Ring1][Ring2][N][C][C][N][C][C][Ring2][Ring1][N][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN2c3ncc(CN4CCN(c5ccc(Cl)cc5)CC4)cc3NC(=O)C2C1",
"O=C1Nc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cnc2N2CCNCC12"
]
} | [
{
"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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,606 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F]",
"[O][C][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F]"
],
"smiles": [
"O=C(O)c1c(F)cc(Br)cc1F",
"OCc1c(F)cc(Br)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": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
70,607 | {
"selfies": [
"[C][O][C][=C][C][=C][C][Branch1][P][C][C][S][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][C]",
"[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][S][=Branch1][C][=O][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"COc1cccc(CCSc2nc3cnccc3[nH]2)c1",
"O=C(OO)c1cccc(Cl)c1",
"COc1cccc(CCS(=O)c2nc3cnccc3[nH]2)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 this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,608 | {
"selfies": [
"[C][N][C]",
"[C][N][C][=N][C][Branch1][C][Cl][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C]",
"[C][N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring2]"
],
"smiles": [
"CNC",
"CNc1nc(Cl)cc(NS(=O)(=O)c2ccc(N)cc2)n1",
"CNc1nc(NS(=O)(=O)c2ccc(N)cc2)cc(N(C)C)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": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,609 | {
"selfies": [
"[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][N]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)=CCCC(C)C(C)CN",
"O=C(Cl)OCc1ccccc1",
"CC(C)=CCCC(C)C(C)CNC(=O)OCc1ccccc1"
]
} | [
{
"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 C1COCCO1.O .",
"role": "assistant"
}
] | |
70,610 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][C][O]",
"[O][=C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F]",
"[C][Si][Branch1][C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F]"
],
"smiles": [
"C[Si](C)(C)CCO",
"O=C=Nc1cc([N+](=O)[O-])ccc1F",
"C[Si](C)(C)CCOC(=O)Nc1cc([N+](=O)[O-])ccc1F"
]
} | [
{
"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": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,611 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][C][=C][Branch1][Branch2][C][Ring1][Branch1][=C][Ring1][#Branch2][I][C][C][C][C][Ring1][=Branch2]",
"[C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][Branch1][C][I][=C][Ring1][#Branch2][C][O][C][C][C][C][Ring1][N]"
],
"smiles": [
"CCOC(=O)c1c(C)nc2sc3c(c2c1I)CCCC3",
"Cc1nc2sc3c(c2c(I)c1CO)CCCC3"
]
} | [
{
"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": "ClCCl .",
"role": "assistant"
}
] | |
70,612 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch2][Ring1][N][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][C][=C][Ring1][S][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=N]",
"[C][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2][C]",
"[C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring2]"
],
"smiles": [
"COC(=O)C1CCOc2cc(Oc3ccc(C(=O)Nc4cccc(Br)n4)cc3)c(C#N)cc21",
"Cc1ccc(B(O)O)cc1C",
"COC(=O)C1CCOc2cc(Oc3ccc(C(=O)Nc4cccc(-c5ccc(C)c(C)c5)n4)cc3)c(C#N)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": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,613 | {
"selfies": [
"[C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring2][Ring1][C]",
"[C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring2][Ring1][C]"
],
"smiles": [
"Cn1ncc(Cl)c1C(=O)O",
"Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)c1",
"Cn1ncc(Cl)c1C(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)C3)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 C1CCOC1 .",
"role": "assistant"
}
] | |
70,614 | {
"selfies": [
"[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][N][N]"
],
"smiles": [
"CCC1Oc2ccccc2NC(=O)C1NC(=O)OC(C)(C)C",
"CCC1Oc2ccccc2NC(=O)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": "<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 .",
"role": "assistant"
}
] | |
70,615 | {
"selfies": [
"[C][N][O][C]",
"[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][=Branch1][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][NH1][C][Ring2][Ring1][=C][=O][=C][Ring2][Ring2][=Branch1]",
"[C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][Branch2][Ring1][=Branch2][O][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][#C][C][=C][Ring2][Ring2][Ring1][Cl]"
],
"smiles": [
"CNOC",
"Cc1cc(C)cc(-c2c(OCCC3CCCCN3C(=O)OC(C)(C)C)c3cc(C(=O)O)c(Cl)cc3[nH]c2=O)c1",
"CON(C)C(=O)c1cc2c(OCCC3CCCCN3C(=O)OC(C)(C)C)c(-c3cc(C)cc(C)c3)c(=O)[nH]c2cc1Cl"
]
} | [
{
"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": "CCN(CC)CC .",
"role": "assistant"
}
] | |
70,616 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][N][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][C][N][C][C][N][C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring1][=N]"
],
"smiles": [
"CC(C)C1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1C(=O)OC(C)(C)C",
"CC(C)C1NCCn2c1nc1ccc(S(C)(=O)=O)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": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,617 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][N]",
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)N1CCc2cc([N+](=O)[O-])ccc21",
"CC(=O)N1CCc2cc(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": "<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: CCOC(C)=O .",
"role": "assistant"
}
] | |
70,618 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][Cl]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"Nc1ccc(C(F)(F)F)nc1Cl",
"O=C(O)c1ccccc1OCc1ccccc1",
"O=C(Nc1ccc(C(F)(F)F)nc1Cl)c1ccccc1OCc1ccccc1"
]
} | [
{
"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": "C1CCOC1.Cc1ccccc1 .",
"role": "assistant"
}
] | |
70,619 | {
"selfies": [
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Branch1][C][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C]",
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][C][C][C][=Branch1][S][=C][Branch1][C][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"C=C(C)C(=O)Cl",
"CC(C)=C1C(=O)N(c2ccc(N)cc2)C(=O)C1=C(C)c1cc(C)oc1C",
"C=C(C)C(=O)Nc1ccc(N2C(=O)C(=C(C)C)C(=C(C)c3cc(C)oc3C)C2=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": "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.c1ccncc1 .",
"role": "assistant"
}
] | |
70,620 | {
"selfies": [
"[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][N][Ring2][Ring1][C][C][C][C][C][N][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][Cl][C][C][Cl]",
"[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][N][Ring2][Ring1][C][C][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][Cl][C][Ring1][O]"
],
"smiles": [
"Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1",
"O=C(Cl)CCCl",
"Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)CCCl)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>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,621 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][Br]",
"[N][#C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)CCCBr",
"N#Cc1cccc(O)c1",
"CCOC(=O)CCCOc1cccc(C#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>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,622 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][S][Ring1][=N][C][C][Ring2][Ring1][Ring1]",
"[N][#C][C][=C][C][=C][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][O][=C][Ring1][P]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccc(C#N)c3)cs2)CC1",
"N#Cc1cccc(-c2csc(N3CCNCC3)n2)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": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,623 | {
"selfies": [
"[C][N][C][=C][Branch1][C][Br][C][=C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O][C][=N][Ring2][Ring1][Ring2][C][Ring2][Ring1][N][=O]",
"[C][N][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][C][C][Ring1][=Branch1][=O][C][=N][Ring1][=N][C][Ring2][Ring1][Branch1][=O]"
],
"smiles": [
"Cn1cc(Br)cc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)cn2)c1=O",
"Cn1cc(Br)cc(Nc2ccc(N3CCNCC3=O)cn2)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": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
70,624 | {
"selfies": [
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]",
"[O][=C][Branch1][C][O-1][O]",
"[NH3+1][O]",
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCCCc1nc(C)n(Cc2cccc3c2OC(C)(C)C3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1",
"O=C([O-])O",
"[NH3+]O",
"CCCCc1nc(C)n(Cc2cccc3c2OC(C)(C)C3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)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>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,625 | {
"selfies": [
"[C][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][O]",
"[C][O][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][O]"
],
"smiles": [
"COc1c(C(=O)CNC(C)(C)Cc2ccccc2)ccc(O)c1O",
"COc1c(C(O)CNC(C)(C)Cc2ccccc2)ccc(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": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,626 | {
"selfies": [
"[C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][N][=C][Ring1][#Branch2][C][C][Ring1][S]",
"[C][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][C][C][Ring1][=C]"
],
"smiles": [
"CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1",
"CN1CCN(c2ccc(N)c(N)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 provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,627 | {
"selfies": [
"[C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Cl]",
"[C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][N][C][Branch1][C][O][=C][Ring1][N][Cl]"
],
"smiles": [
"Cc1c(C)c(C(=O)O)c(N)c(OCc2ccccc2)c1Cl",
"Cc1c(C)c(C(=O)O)c(N)c(O)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": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,628 | {
"selfies": [
"[C][C][Branch1][C][C][C][O][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][Ring1][=N][=O]",
"[C][C][Branch1][C][C][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][Ring1][=N]"
],
"smiles": [
"CC1(C)COc2cc(Br)cnc2NC1=O",
"CC1(C)CNc2ncc(Br)cc2OC1"
]
} | [
{
"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 .",
"role": "assistant"
}
] | |
70,629 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][=C][Ring1][#C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][S]",
"[N][#C][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3)nc2Oc2ccc(C#N)cc2)CC1",
"N#Cc1ccc(Oc2ccc(C(=O)N3CCNCC3)c(Oc3ccc(C#N)cc3)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": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,630 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][N][Ring1][O][C][=Ring1][#C]",
"[N][#C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][Ring1][=Branch2][C][C][Ring1][N]",
"[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][N][Ring1][O][C][=Ring1][#C]"
],
"smiles": [
"Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)nn2c1",
"N#CC1(c2cccc(C(=O)Cl)c2)CC1",
"Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)nn2c1"
]
} | [
{
"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": "CCOC(C)=O.CN1CCCC1=O .",
"role": "assistant"
}
] | |
70,631 | {
"selfies": [
"[N][#C][C][C][C][C][Branch1][Ring1][C][=O][C][C][Ring1][Branch2]",
"[N][#C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]"
],
"smiles": [
"N#CC1CCC(C=O)CC1",
"N#CC1CCC(CO)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>.",
"role": "user"
},
{
"content": "[K+].[OH-] .",
"role": "assistant"
}
] | |
70,632 | {
"selfies": [
"[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N]",
"[O][=C][Branch1][C][O][C][Cl]",
"[Cl][C][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O]"
],
"smiles": [
"Nc1cc(Cl)c(Cl)cc1N",
"O=C(O)CCl",
"ClCc1nc2cc(Cl)c(Cl)cc2[nH]1"
]
} | [
{
"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": "Cl .",
"role": "assistant"
}
] | |
70,633 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1]",
"[N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][C][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCNCC1",
"Nc1cnc(Cl)nc1Cl",
"CC(C)(C)OC(=O)N1CCN(c2nc(Cl)ncc2N)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": "CS(C)=O .",
"role": "assistant"
}
] | |
70,634 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][O][C][C][Branch1][Ring2][N][=N+1][=N-1][C][Ring1][#Branch1][C][Ring1][#Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][C][Branch1][C][N][C][Ring1][Branch1][C][Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC2(CC(N=[N+]=[N-])C2)C1",
"CC(C)(C)OC(=O)N1CC2(CC(N)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 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 .",
"role": "assistant"
}
] | |
70,635 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][N][Branch1][#Branch1][C][Ring1][O][=C][Ring1][#C][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][Ring2][Ring1][C][C][C][C][Ring2][Ring1][=N][=O]"
],
"smiles": [
"COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)N(CCN(C)C)Cc1ccccc1-3",
"CN(C)CCN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CCC1=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": "ClCCl .",
"role": "assistant"
}
] | |
70,636 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][Br]",
"[N][#C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)CCCCBr",
"N#Cc1ccc(O)cc1",
"CCOC(=O)CCCCOc1ccc(C#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": "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"
}
] | |
70,637 | {
"selfies": [
"[C][C][C][=C][C][Branch2][Ring1][O][O][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][S][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][N]",
"[C][C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][O]"
],
"smiles": [
"CCc1cc(OCc2ccc(-c3ccccc3C(=O)OC)cc2)c2ccccc2n1",
"CCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)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": "<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"
}
] | |
70,638 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][=C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch1][Ring1][C][Br][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][O][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][C][Ring2][Ring1][=N][N][Ring2][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)C1CC2(c3ccccc3)C(O)CCC1N2Cc1ccccc1",
"FC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1",
"CC(C)(C)OC(=O)C1CC2(c3ccccc3)C(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC1N2Cc1ccccc1"
]
} | [
{
"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"
}
] | |
70,639 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][N]",
"[Cl][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C]",
"[C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C]"
],
"smiles": [
"COC(=O)CCN",
"Clc1cc(Cl)nc(Cc2ccccc2)n1",
"COC(=O)CCNc1cc(Cl)nc(Cc2ccccc2)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>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
70,640 | {
"selfies": [
"[C][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2]",
"[C][C][=C][C][Branch1][C][N][=C][C][=C][Branch1][C][N][C][=C][C][Ring1][#Branch1][=N][Ring1][N]",
"[C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N][=N][C][Branch1][C][Cl][=N][Ring2][Ring1][Ring2]"
],
"smiles": [
"Cc1cc(Cl)nc(Cl)n1",
"Cc1cc(N)c2cc(N)ccc2n1",
"Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(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": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "O.OCCO .",
"role": "assistant"
}
] | |
70,641 | {
"selfies": [
"[C][O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1]"
],
"smiles": [
"COc1ccc2[nH]ccc2c1",
"COc1ccc2c(c1)CCN2"
]
} | [
{
"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(=O)O .",
"role": "assistant"
}
] | |
70,642 | {
"selfies": [
"[N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N]"
],
"smiles": [
"Nc1ncc(Br)cc1[N+](=O)[O-]",
"Nc1cc(Br)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": "<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"
}
] | |
70,643 | {
"selfies": [
"[C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N]",
"[O][N][=C][Branch1][C][Cl][C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]",
"[N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=N][O][Ring2][Ring1][Ring2]"
],
"smiles": [
"C#Cc1cccnc1N",
"ON=C(Cl)Cc1cccc(OCc2ccccc2)c1",
"Nc1ncccc1-c1cc(Cc2cccc(OCc3ccccc3)c2)no1"
]
} | [
{
"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"
}
] | |
70,644 | {
"selfies": [
"[C][C][Br]",
"[C][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][Br]",
"[C][C][O][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][=Branch2]"
],
"smiles": [
"CCBr",
"Cc1c(Br)cc(CO)cc1Br",
"CCOCc1cc(Br)c(C)c(Br)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": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,645 | {
"selfies": [
"[C][#C][C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]",
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[C][#C][C][C][C][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][C][Ring1][O]"
],
"smiles": [
"C#CCC1CCC(CO)CC1",
"CC(=O)OC(C)=O",
"C#CCC1CCC(COC(C)=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 provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
70,646 | {
"selfies": [
"[C][C][C][=C][C][Branch2][Branch1][#C][O][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][=C][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][N][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][Ring2][=C][N][=C][Branch2][Ring2][C][O][C][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Ring2][Ring1][O][=N][Ring2][=Branch1][Branch1]",
"[C][C][C][=C][C][Branch2][Branch1][#C][O][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][=C][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][N][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][Ring2][=C][N][=C][Branch1][Branch1][O][C][C][O][C][=C][C][Ring1][#Branch2][=N][Ring2][Branch1][Ring2]"
],
"smiles": [
"CCc1cc(OCc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c2nc(OCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2n1",
"CCc1cc(OCc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c2nc(OCCO)ccc2n1"
]
} | [
{
"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.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,647 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][SiH2][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][C][Branch2][Ring1][C][C][Branch1][C][C][Branch1][C][C][O][SiH2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)[SiH2]OC(C)(C)C1CCC(CO)CC1",
"Cc1ccc(S(=O)(=O)Cl)cc1",
"Cc1ccc(S(=O)(=O)OCC2CCC(C(C)(C)O[SiH2]C(C)(C)C)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": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,648 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][Ring1][P]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][Ring1][P]"
],
"smiles": [
"COC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CCO2",
"O=C(O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CCO2"
]
} | [
{
"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"
}
] | |
70,649 | {
"selfies": [
"[N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]",
"[Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"NOCc1ccccc1",
"O=C1CCc2cc(Br)ccc21",
"Brc1ccc2c(c1)CCC2=NOCc1ccccc1"
]
} | [
{
"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"
}
] | |
70,650 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Branch1][O][C][=C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N]",
"[O][=C][NH1][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(Oc2ccc3cnc(Nc4ccc5[nH]c(=O)[nH]c5c4)nc3c2)CC1",
"O=c1[nH]c2ccc(Nc3ncc4ccc(OC5CCNCC5)cc4n3)cc2[nH]1"
]
} | [
{
"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.O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
70,651 | {
"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]",
"[N][C][C][O][C][=C][C][Branch2][Ring2][Branch1][C][=N][O][C][Branch2][Ring1][#Branch2][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][O]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch2][Ring2][Branch1][C][=N][O][C][Branch2][Ring1][#Branch2][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][O]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NC1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2C1O",
"CC(C)(C)OC(=O)NC1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2C1O"
]
} | [
{
"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": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,652 | {
"selfies": [
"[C][=O]",
"[N][#C][C][C][N][C][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][Branch1]",
"[C][N][Branch1][Branch1][C][C][C][#N][C][C][C][N][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][Branch1]"
],
"smiles": [
"C=O",
"N#CCCNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1",
"CN(CCC#N)C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)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": "ClCCl .",
"role": "assistant"
}
] | |
70,653 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2]",
"[O][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][=Branch2]"
],
"smiles": [
"COc1cc2c(cc1C=O)OCCC2",
"O=Cc1cc2c(cc1O)CCCO2"
]
} | [
{
"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"
}
] | |
70,654 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][Ring2][C][C][Br][=C][C][=C][Ring1][=Branch2][Ring1][=N]",
"[F][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2]"
],
"smiles": [
"Cn1c(=O)oc2cc(CCBr)ccc21",
"Fc1ccc(N2CCNCC2)cc1",
"Cn1c(=O)oc2cc(CCN3CCN(c4ccc(F)cc4)CC3)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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1COCCO1 .",
"role": "assistant"
}
] | |
70,655 | {
"selfies": [
"[C][C][C][=C][C][=C][C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][N][Ring2][Ring1][Ring2][Ring1][P]",
"[N][C][C][O]",
"[C][C][C][=C][C][=C][C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][=N][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2]"
],
"smiles": [
"CCc1ccc2c(-c3cncc(C)c3)c(C(=O)O)c(C)nn12",
"NCCO",
"CCc1ccc2c(-c3cncc(C)c3)c(C(=O)NCCO)c(C)nn12"
]
} | [
{
"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"
}
] | |
70,656 | {
"selfies": [
"[C][N]",
"[O][=C][N][C][C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#Branch2][Ring1][=N]",
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=O]"
],
"smiles": [
"CN",
"O=CN1CCc2cc(S(=O)(=O)Cl)ccc21",
"CNS(=O)(=O)c1ccc2c(c1)CCN2C=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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,657 | {
"selfies": [
"[C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CCC1CC(CO)CC1C(=O)OC(C)(C)C",
"CS(=O)(=O)Cl",
"CCC1CC(COS(C)(=O)=O)CC1C(=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": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,658 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"COC(=O)C(CC1CCCCC1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1",
"CS(=O)(=O)c1ccc(C(CC2CCCCC2)C(=O)O)cc1C(F)(F)F"
]
} | [
{
"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"
}
] | |
70,659 | {
"selfies": [
"[C][O]",
"[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2]"
],
"smiles": [
"CO",
"Cc1cc(C(=O)O)ccc1O",
"COC(=O)c1ccc(O)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": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,660 | {
"selfies": [
"[Br][C][Branch1][C][Br][Branch1][C][Br][Br]",
"[O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]",
"[Br][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]"
],
"smiles": [
"BrC(Br)(Br)Br",
"OCc1ccc(-c2ccccc2)cc1",
"BrCc1ccc(-c2ccccc2)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: ClCCl .",
"role": "assistant"
}
] | |
70,661 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][C][Ring1][Branch1][C][Ring1][Ring1][Branch1][C][C][C]",
"[O][=C][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]",
"[C][C][S][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][C][=Ring2][Ring1][Ring2][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C]"
],
"smiles": [
"CC(=O)c1sc(C)c2c1CC1C2C1(C)C",
"O=Cc1ccc(CCC(=O)O)cc1",
"Cc1sc(C(=O)C=Cc2ccc(CCC(=O)O)cc2)c2c1C1C(C2)C1(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> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO.O .",
"role": "assistant"
}
] | |
70,662 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][#Branch1]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][C][=C][C][Branch1][C][Cl][=N][N][Ring1][#Branch2][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCCNCC1",
"FC(F)(F)c1nnc2ccc(Cl)nn12",
"CC(C)(C)OC(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)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": "CCO .",
"role": "assistant"
}
] | |
70,663 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][N][Branch1][C][C][C][C][Ring1][=C]",
"[C][N][C][C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][O][C][Ring1][P]"
],
"smiles": [
"CCOC(=O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2",
"CN1CCc2c(c3cc(Cl)ccc3n2CCO)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 .",
"role": "assistant"
}
] | |
70,664 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][O][C][=C][Ring2][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring2][#Branch1]"
],
"smiles": [
"CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1",
"COc1ccc(C(NC(=O)OCc2ccccc2)C(O)CO)cc1",
"COc1ccc(C(NC(=O)OCc2ccccc2)C(O)CO[Si](c2ccccc2)(c2ccccc2)C(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": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
70,665 | {
"selfies": [
"[O][=C][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2]",
"[O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2]"
],
"smiles": [
"O=C1CCN2CCCC2C1",
"OC1CCN2CCCC2C1"
]
} | [
{
"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"
}
] | |
70,666 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)Cc1cccc(C)c1",
"O=C1CCC(=O)N1Br",
"CCOC(=O)Cc1cccc(CBr)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": "ClC(Cl)(Cl)Cl.ClCCl .",
"role": "assistant"
}
] | |
70,667 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][Br][=C][Ring1][Branch2]",
"[C][C][=C][C][Branch1][C][Br][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C]"
],
"smiles": [
"BrCc1ccccc1",
"Cc1cc(O)cc(Br)c1",
"Cc1cc(Br)cc(OCc2ccccc2)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>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
70,668 | {
"selfies": [
"[Br][Br]",
"[O][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O]",
"[O][=C][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][O]"
],
"smiles": [
"BrBr",
"O=Cc1ccc(F)cc1O",
"O=Cc1cc(Br)c(F)cc1O"
]
} | [
{
"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 CC(=O)O .",
"role": "assistant"
}
] | |
70,669 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][O][C][C][N][C][Ring2][Ring1][C][=O]",
"[O][C][C][C][I]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][O][C][C][N][C][Ring2][Ring1][C][=O]"
],
"smiles": [
"CC(C)(C)OC(=O)CC(CCCc1ccc(O)cc1)C(=O)NC1Cc2cn(c3ccccc23)CCOCCNC1=O",
"OCCCI",
"CC(C)(C)OC(=O)CC(CCCc1ccc(OCCCO)cc1)C(=O)NC1Cc2cn(c3ccccc23)CCOCCNC1=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": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,670 | {
"selfies": [
"[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[I][I]",
"[C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][I][C][Branch1][C][O][=C][Ring1][Branch2]"
],
"smiles": [
"CC(C)c1cccc(O)c1",
"II",
"CC(C)c1ccc(I)c(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": "<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 CC(=O)O .",
"role": "assistant"
}
] | |
70,671 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][N][Ring1][=N][C][Ring1][S][C][=C][Ring2][Ring1][Branch2]",
"[O][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][N][Ring1][=N][C][Ring1][S][C][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"COC(=O)Cc1ccc(OCC2CC3CN(c4ccc(Cl)cn4)CCN3C2)cc1",
"OCCc1ccc(OCC2CC3CN(c4ccc(Cl)cn4)CCN3C2)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>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
70,672 | {
"selfies": [
"[C][N][N][=C][Branch2][Ring2][=C][C][=C][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][N][Ring1][S][C][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring2][Branch1]",
"[C][N][N][=C][Branch2][Ring1][P][C][=C][N][=C][NH1][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][Ring1][#C][=N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][=N]"
],
"smiles": [
"Cn1nc(-c2cnc3c(n2)c(C(=O)NC2CCCC(O)C2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21",
"Cn1nc(-c2cnc3[nH]cc(C(=O)NC4CCCC(O)C4)c3n2)c2ccc(Cl)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": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,673 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)C(=O)N1CCc2c([nH]c3ccccc23)C1",
"O=S(=O)(Cl)c1ccccc1",
"CC(C)(C)C(=O)N1CCc2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,674 | {
"selfies": [
"[C][C][C][Branch1][C][O][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[C][C][C][Branch2][Ring1][Ring2][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][C][N][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC1C(O)CCCN1C(=O)OC(C)(C)C",
"FC(F)(F)c1cnc(Cl)nc1",
"CC1C(Oc2ncc(C(F)(F)F)cn2)CCCN1C(=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> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1.O .",
"role": "assistant"
}
] | |
70,675 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][N][=Ring1][Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][NH1][N][=Ring1][=Branch1]"
],
"smiles": [
"COC(=O)c1cc([N+](=O)[O-])[nH]n1",
"COC(=O)c1cc(N)[nH]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 CO .",
"role": "assistant"
}
] | |
70,676 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O]",
"[O][=C][Branch1][C][O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O]"
],
"smiles": [
"CCOC(=O)C1CCN(C(=O)C2CC2)CC1",
"O=C(O)C1CCN(C(=O)C2CC2)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>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,677 | {
"selfies": [
"[C][I]",
"[O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=N][Ring1][Branch2]",
"[C][O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=N][Ring1][Branch2]"
],
"smiles": [
"CI",
"OCc1ccc(F)c(Cl)n1",
"COCc1ccc(F)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": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,678 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][=C]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1",
"CC(C)(C)OC(=O)N1CCc2ccc(N)cc2CC1"
]
} | [
{
"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 .",
"role": "assistant"
}
] | |
70,679 | {
"selfies": [
"[C][O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][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][=C][Ring2][Ring1][#Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][S][C]",
"[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][S][C]"
],
"smiles": [
"COc1cc(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C",
"COc1cc(C(=O)NC2CCC(N)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C"
]
} | [
{
"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"
}
] | |
70,680 | {
"selfies": [
"[C][C][Branch1][C][C][Si][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[O][C][C][C][C][N][Branch1][P][C][=N][N][=C][C][=C][C][Branch1][C][F][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][S]",
"[C][C][Branch1][C][C][Si][Branch2][Ring1][N][O][C][C][C][C][N][Branch1][P][C][=N][N][=C][C][=C][C][Branch1][C][F][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][S][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C",
"OC1CCCN(c2nnc3ccc(F)cn23)C1",
"CC(C)[Si](OC1CCCN(c2nnc3ccc(F)cn23)C1)(C(C)C)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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,681 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][=Ring1][P][Ring1][O]",
"[C][C][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][C][Ring2][Ring1][Branch1][=O][=C][Ring1][=N][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCOC(=O)COc1cc2c(=O)c(C)cn3c4ccc(Br)cc4c(c1)c23",
"Cc1cn2c3ccc(Br)cc3c3cc(OCC(=O)O)cc(c1=O)c32"
]
} | [
{
"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"
}
] | |
70,682 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Branch1][C][C][C]",
"[C][C][=Branch1][#Branch1][=C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]"
],
"smiles": [
"CCOC(=O)C(C)=CC(C)C",
"CC(=CC(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": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,683 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][C][O]",
"[C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][Branch2][N][Branch1][C][C][N][=Ring1][P]",
"[C][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][Branch2][C][Branch1][C][C][C][C][O][C][C][Ring1][=N][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1]"
],
"smiles": [
"CC(=O)CCO",
"Cc1cc(-c2ccc3c(c2)CCNCC3)n(C)n1",
"Cc1cc(-c2ccc3c(c2)CCN(C(C)CCO)CC3)n(C)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": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1.CC(=O)O .",
"role": "assistant"
}
] | |
70,684 | {
"selfies": [
"[C][I]",
"[N][#C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]",
"[C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][Ring1][O]"
],
"smiles": [
"CI",
"N#Cc1cccc2[nH]ccc12",
"Cn1ccc2c(C#N)cccc21"
]
} | [
{
"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"
}
] | |
70,685 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][Cl][=N][Ring1][=Branch2][=C][Ring1][P][F]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[N][#C][C][=C][C][Branch1][C][Cl][=N][C][Branch2][Ring1][C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2][F][=C][Ring2][Ring1][C]"
],
"smiles": [
"Cc1ccc(Cl)c(Oc2cc(C#N)cc(Cl)n2)c1F",
"O=C1CCC(=O)N1Br",
"N#Cc1cc(Cl)nc(Oc2c(Cl)ccc(CBr)c2F)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> 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 ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,686 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][N]"
],
"smiles": [
"COc1ccc(Br)nc1[N+](=O)[O-]",
"COc1ccc(Br)nc1N"
]
} | [
{
"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": "CC(=O)O .",
"role": "assistant"
}
] | |
70,687 | {
"selfies": [
"[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][C][Ring1][P]",
"[O][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1",
"O=C(NC1CCNCC1)OCc1ccccc1"
]
} | [
{
"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": "C1COCCO1 .",
"role": "assistant"
}
] | |
70,688 | {
"selfies": [
"[C][=O]",
"[C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=C][C][Branch1][=Branch2][N][C][C][C][N][C][Ring1][Branch1][=N][C][=N][Ring1][N]",
"[C][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][N][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=N][Ring1][=N][C][Ring2][Ring1][Ring1]"
],
"smiles": [
"C=O",
"CC(C)(C)CCNc1cc(NC2CCNC2)ncn1",
"CN1CCC(Nc2cc(NCCC(C)(C)C)ncn2)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": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,689 | {
"selfies": [
"[Br][Br]",
"[C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N]",
"[C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][N]"
],
"smiles": [
"BrBr",
"COc1cccc(C(=O)O)c1N",
"COc1cc(Br)cc(C(=O)O)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": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,690 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][N][C][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N]"
],
"smiles": [
"CCOC(=O)c1cnc2cc(N)ccc2c1",
"O=C(Cl)c1ccccc1-c1ccc(C(F)(F)F)cc1",
"CCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)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": "<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 ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,691 | {
"selfies": [
"[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][S][Ring1][#C][=Branch1][C][=O][=O]",
"[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][C][S][Ring1][=N][=Branch1][C][=O][=O]"
],
"smiles": [
"Cc1cc(C(=O)O)cc2c1Oc1c(Cl)cc([N+](=O)[O-])cc1CS2(=O)=O",
"Cc1cc(C(=O)O)cc2c1Oc1c(Cl)cc(N)cc1CS2(=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": "<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"
}
] | |
70,692 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1][Branch1][C][C][C]",
"[O][=N+1][Branch1][C][O-1][O]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][Ring1][Branch1][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)c1cccc2c1OCC2(C)C",
"O=[N+]([O-])O",
"CC(C)(C)c1cc([N+](=O)[O-])cc2c1OCC2(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": "CC(=O)O .",
"role": "assistant"
}
] | |
70,693 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]",
"[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]"
],
"smiles": [
"COC(=O)c1cc(OC)cc([N+](=O)[O-])c1",
"COc1cc(CO)cc([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": "<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 CCOCC .",
"role": "assistant"
}
] | |
70,694 | {
"selfies": [
"[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]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]"
],
"smiles": [
"CNC1CCN(C(=O)OC(C)(C)C)CC1",
"O=C(Cl)OCc1ccccc1",
"CN(C(=O)OCc1ccccc1)C1CCN(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": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,695 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][#Branch1][O][C][C][C][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][#Branch1][O][C][C][C][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)[Si](OCCCCO)(c1ccccc1)c1ccccc1",
"CC(C)(C)[Si](OCCCC=O)(c1ccccc1)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": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,696 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[Cl][C][C][N][C][C][Cl]",
"[C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][S]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)Cl)cc1",
"ClCCNCCCl",
"Cc1ccc(S(=O)(=O)N(CCCl)CCCl)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>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,697 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][N][N][Ring1][#C][C][Branch1][C][C][C][O]",
"[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][N][N][Ring1][#C][C][Branch1][C][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O]"
],
"smiles": [
"CS(=O)(=O)Cl",
"Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1C(C)CO",
"Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1C(C)COS(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 provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,698 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][C][Ring1][#C]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][C][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)C1(CNC(=O)OC(C)(C)C)CCOCC1",
"CC(C)(C)OC(=O)NCC1(C(=O)O)CCOCC1"
]
} | [
{
"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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,699 | {
"selfies": [
"[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C]"
],
"smiles": [
"CCCC(=O)c1ccc(O)cc1",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"CCCC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)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": "O.c1ccncc1 .",
"role": "assistant"
}
] |