Copper/Ruthenium Relay Catalysis for Stereodivergent Construction of 1,4-Nonadjacent Stereocenters: Mechanistic Investigation Using DFT Calculations

DFT calculations were used to explore the detailed reaction mechanism, and the origins of stereodivergence, in the Cu/Ru dual-catalyzed hydroalkylation of racemic allylic alcohols and racemic ketimine esters.