Abstract:Ni‐catalyzed C−N cross‐coupling of 5‐aminoindole and 2‐chloroquinoline provides a ligand ‐controlled chemoselectivity‐switchable method for construction of arylamines. In this study, we employed density functional theory methods to elucidate the mechanistic details of this reaction and the origin of different chemoselectivity induced by Phen‐DalPhos and PAd2‐DalPhos. The calculation indicating that the catalytic cycle mainly proceeds through the oxidative addition of 2‐chloroquinoline, anion exchange with 5‐ami… Show more
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