A DFT study of NHC-catalyzed reactions between 2-bromo-2-enals and acylhydrazones: mechanisms, and chemo- and stereoselectivities

Abstract

Mechanistic features, chemo- and stereoselectivities of the [4+2] cycloaddition between 2-bromo-2-enal and acylhydrazone catalyzed by a chiral N-heterocyclic carbene (NHC) catalyst were derived from density functional theory calculations. In the...