This study describes the combined experimental and computational elucidation of the mechanism and
origins of stereoselectivities in the NHC-catalyzed dynamic kinetic resolution (DKR) of α-substituted-β-ketoesters. Density functional theory computations reveal that the NHC-catalyzed DKR proceeds by two
mechanisms, depending on the stereochemistry around the forming bond: 1) a concerted, asynchronous...