Pd/smNBE(D) Chemistry Meets the Amino Group: Catalytic Cycle and Chemoselectivity

position of aryl halides after C-H functionalization. The aforementioned strategy was applicable to various C-H functionalizations, including amination, alkylation, arylation, glycosylation, acylation, and carbamoylation. In terms of the mechanism, density functional theory (DFT) calculations elucidated from multiple perspectives the mechanistic principles behind the high selectivity observed across different reaction pathways in the catalytic cycle. The synthetic utility of this method was validated through its application in the preparation of various important pharmaceutical agents and versatile building blocks.