https://www.selleckchem.com/pr....oducts/GDC-0980-RG74
Mechanisms of palladium-aminooxyacetic acid and 2-pyridone-enabled cooperative catalysis for the β- and γ-C(sp3)-H functionalizations of ketones are investigated with density functional theory. 2-Pyridone-assisted dissociation of the trimeric palladium acetate [Pd3(OAc)6] is found to be crucial for these catalytic pathways. The evolution of the [6,6]-membered palladacycles (Int-4) are elucidated and are active complexes in Pd(II/IV) catalytic cycles. Nevertheless, 2-pyridone acts as an external ligand, which accelerates β-C(sp3)
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