Mechanism and origins of stereo- and enantioselectivities of palladium-catalyzed hydroamination of racemic internal allenes <i>via</i> dynamic kinetic resolution: a computational study
Zhenhua Wu, Mei Zhang, Yu Shi, Genping Huang
Abstract
DFT calculations were performed to investigate the Pd-catalyzed hydroamination of racemic internal allenes with pyrazoles.
Topics & Concepts
HydroaminationChemistryKinetic resolutionPalladiumCatalysisMechanism (biology)Computational chemistryOrganic chemistryEnantioselective synthesisPhilosophyEpistemologyCatalytic C–H Functionalization MethodsAsymmetric Hydrogenation and CatalysisCatalytic Alkyne Reactions