MOLECULAR　MECHANICAL　AND　QUANTUM　CHEMICAL　CALCULATION　ON　ACYLATION　REACTIVITY　FOR　1－（NITRO　SUBSTITUTED　ANILINO）－4－SUBSTITUTED－2，6－PIPERAZINEDIONES

作     者：Jiang, HL Li, Q Chen, KX Tang, Y Shen, X Ji, RY Xie, YY 

作者机构：Chinese Acad Sci Shanghai Inst Mat Med Shanghai 200031 Peoples R China 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：1995年第6卷第8期

页      面：691-694页

核心收录：

学科分类：07[理学] 0703[理学-化学] 

摘      要：Molecular mechanical and quantum chemical methods were used to calculate the conformational and electronic structures of the template molecules of (nitro substituted an ill no)-4 - sub st nut ed -2, 6 -piperazinediones, With the calculation results we explained the acylation reactivity of title compounds satisfactorily.