化学
腈
区域选择性
埃尼
催化作用
联轴节(管道)
密度泛函理论
氢化物
组合化学
计算化学
药物化学
有机化学
氢
机械工程
工程类
作者
Yujing Zhou,Ling Zhou,Luke T. Jesikiewicz,Peng Liu,Stephen L. Buchwald
摘要
Herein, we describe an efficient method to prepare polysubstituted pyrroles via a copper-hydride (CuH)-catalyzed enyne-nitrile coupling reaction.This protocol accommodates both aromatic and aliphatic substituents and a broad range of functional groups, providing a variety of N-H pyrroles in good yields and with high regioselectivity.We propose that the Cu-based catalyst promotes both the initial reductive coupling and subsequent cyclization steps.Density functional theory (DFT) calculations were performed to elucidate the reaction mechanism.
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