Predicting the origin of selectivity in NHC-catalyzed ring opening of formylcyclopropane: a theoretical investigation
Yang Wang, Yan Qiao, Yu Lan, Donghui Wei
Abstract
Using density functional theory, we investigated the origin of selectivity in the N-heterocyclic carbene (NHC)-catalyzed transformation of formylcyclopropane with an alkylidene oxindole.
Topics & Concepts
SelectivityCatalysisCarbeneOxindoleTransformation (genetics)Ring (chemistry)ChemistryDensity functional theoryCombinatorial chemistryComputational chemistryOrganic chemistryGeneBiochemistryCyclopropane Reaction MechanismsN-Heterocyclic Carbenes in Organic and Inorganic ChemistrySynthetic Organic Chemistry Methods