Cross-coupling reactions are among the most widely used synthetic methods in medicinal chemistry; however, they typically form bonds with C(sp2)-hybridized atoms. The resulting molecules often have suboptimal physicochemical and topological properties. Here virtual and experimental libraries of products from benzylic C(sp3)–H cross-coupling are shown to access underpopulated 3D chemical space.
- Si-Jie Chen
- Cyndi Qixin He
- Shannon S. Stahl
