Mechanistic Insights into Nickel‐Catalyzed CH Functionalization Reactions

Abstract In this article, we summarize the four mechanisms according to the experimental and theoretical basis in chronological order. These include the oxidative addition process, base‐assisted nickelation of CH bonds, the ligand‐to‐ligand hydrogen transfer (LLHT) process, and σ‐bond metathesis. Meanwhile, the representative efforts in nickel‐catalyzed CH functionalization in the past two decades are also summarized. These reactions typically involve (i) the hydrocarbonation of unsaturated CC bonds; (ii) the coupling reactions of CH with carbon electrophiles and nucleophiles; (iii) the oxidative CH and CH coupling reactions; and (iv) the construction of carbon–hetero bonds.