DOI: 10.1002/cphc.202000099  (OpenAccess)

Computational Insights into Cinchona-Based PhaseTransfer Catalysis for Asymmetric Conjugate Cyanation

Computational insights into the conjugate cyanation of α,β-unsaturated ketones using quinine-derived phase transfer catalysts are presented. The study examines different binding modes, reaction mechanisms, and non-covalent interactions, demonstrating how catalyst modifications enhance enantioselectivity and invert product configuration.