Quantum Chemical Study of the Mechanism of ( E , Z )-1,3-Diphenyl-2-Aza-1,3-Diene Stereoselective Formation from N -Benzyl-1-Phenylethane-1-Imine and Acetylene in the KO t -Bu/DMSO Superbasic Environment

JOURNAL OF STRUCTURAL CHEMISTRY（2023）

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摘要

Mechanism of ( E , Z )-1,3-diaryl-2-azadienes stereoselective formation from N -benzylketimines and acetylene in the superbasic KO t -Bu/DMSO environment is considered within the density functional theory on the example of N -benzyl-1-phenylethane-1-imine vinylation.

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关键词

N-benzylketimines,acetylene,vinylation,superbasic environment,reaction mechanism,density functional theory.

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