Mechanistic Insight Into the AuCN Catalyzed Annulation Reaction of Salicylaldehyde and Aryl Acetylene: Cyanide Ion Promoted Umpolung Hydroacylation/Intramolecular Oxa-Michael Addition Mechanism

Mechanistic Insight Into the AuCN Catalyzed Annulation Reaction of Salicylaldehyde and Aryl Acetylene: Cyanide Ion Promoted Umpolung Hydroacylation/Intramolecular Oxa-Michael Addition Mechanism

The detailed mechanism of the AuCN-catalyzed annulation of salicylaldehyde (SA) and phenyl acetylene leading to isoflavanone-type complexes has been investigated via density functional theory (DFT) calculations. Reaction pathways and possible stationary points are obtained with the combined molecula...

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Bibliographic Details
Main Authors: Manyi Yang, Guoqiang Wang, Jingxiang Zou, Shuhua Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-08-01
Series:Frontiers in Chemistry
Subjects:
DFT
MD/CD
cyanide ion
umpolung
hydroacylation
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00557/full

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