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苯乙基哌啶酮相关反应量子化学计算研究
Quantum Chemical Calculation of the Reaction Related Phenethylpiperidone

DOI: 10.12677/CC.2018.23014, PP. 114-123

Keywords: 量子化学计算，净亲电指数，Wiberg键级，Michael加成，Dieckmann缩合，席夫碱
Quantum Chemistry Calculation, Net Electrophilic Index, Wiberg Bond Level, Michael Addition, Dieckmann Condensation, Schiff Base

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Abstract:

本文通过量子化学计算所得的净亲电指数及Wiberg键级，阐明了苯乙基哌啶酮合成过程中的Michael加成和Dieckmann缩合反应机理，说明了从苯乙基哌啶酮生成席夫碱的反应活性，具有一定的理论意义。
In this paper, the mechanism of Michael addition and Dieckmann condensation in the synthesis of phenethylpiperidone and the activity reaction of Schiff base from phenethylpiperidone were elu-cidated by the net electrophilic index and Wiberg bond level calculated by quantum chemistry. It has certain theoretical significance.

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