QUANTUM-CHEMICAL MODELING OF THE SYNTHESIS REACTION OF HEXAHYDROPHENOXASINES IN ETHANOL
The article presents the results of quantum-chemical modeling of the reaction of the synthesis of hexahydrophenoxazines by the reductive cyclization of nitrophenoxycyclohexanones. The geometric, electronic, and energy characteristics of molecules with allowance for the effect of the solvent are discussed, as well as the energy parameters of the reaction stages.