Late-Stage C(sp2)-C(sp3) Diversification via Nickel Oxidative Addition Complexes

J Am Chem Soc. 2024 Aug 7;146(31):21264-21270. doi: 10.1021/jacs.4c08404. Epub 2024 Jul 25.

Abstract

Herein, we describe nickel oxidative addition complexes (Ni-OACs) of drug-like molecules as a platform to rapidly generate lead candidates with enhanced C(sp3) fraction. The potential of Ni-OACs to access new chemical space has been assessed not only in C(sp2)-C(sp3) couplings but also in additional bond formations without recourse to specialized ligands and with improved generality when compared to Ni-catalyzed reactions. The development of an automated diversification process further illustrates the robustness of Ni-OACs, thus offering a new gateway to expedite the design-make-test-analyze (DMTA) cycle in drug discovery.