DFT Investigation of the Mechanism of Pd‐Catalyzed Alkoxy‐Carbonylation of C─H Bonds
The functionalization of unactivated methyl (sp3)C─H bond remains a formidable challenge in organic synthesis due to their high bond dissociation energies and poor site selectivity. Palladium‐catalyzed carbonylation using carbon monoxide (CO) is a well‐established method for ester synthesis. Recently, researchers claim...