Origin of Regio‐ and Stereoselectivity in the NHC‐catalyzed Reaction of Alkyl Pyridinium with Aliphatic Enal

The mechanisms of N‐heterocyclic carbene (NHC)‐catalyzed dearomatization reaction of alkyl pyridinium have been intensively studied using the density functional theory (DFT) method. The chemoselectivity and stereoselectivity were both analyzed based on the established mechanisms. The computational r...

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Veröffentlicht in:	ChemCatChem 2020-02, Vol.12 (4), p.1068-1074
Hauptverfasser:	Wang, Yang, Qu, Ling‐Bo, Lan, Yu, Wei, Donghui
Format:	Artikel
Sprache:	eng
Schlagworte:	Aliphatic compounds Density functional theory DFT Calculations Organocatalysis Reaction Mechanism Regioselectivity Selectivity Stereoselectivity
Online-Zugang:	Volltext
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