Mechanisms and origins of stereoselectivity in the NHC-catalyzed oxidative reaction of enals and pyrroles: a density functional theory study

Abstract

The mechanism, chemoselectivity and stereoselectivity in NHC-catalyzed reaction between enal and pyrrole for the synthesis of 5,6-dihydroindolizine were studied using DFT calculations. The cycle for catalytically generation of 5,6-dihydroindolizine proceeds...