Theoretical Insights into the Mechanism and Ligand-Controlled Chemoselectivity of Multicomponent Carbonylation toward γ-Butenolide and Ynone

Palladium-catalyzed multicomponent carbonylation reactions provide an efficient platform for the ligand-controlled, switchable synthesis of structurally diverse carbonyl compounds. However, the intrinsic complexity of these multicomponent catalytic systems, particularly the origin...