2020•Computational and Theoretical ChemistryRequires access

Mechanisms of chemoselectivity for acyl and decarbonylative Suzuki–Miyaura coupling of N-acetyl amide with arylboronic acid catalyzed by Pd and Ni catalysts: Insights from DFT calculations

Jian Liu, Menghang Ling, Hujun Xie

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Key concepts: Transmetalation, Chemistry, Oxidative addition, Catalytic cycle, Reductive elimination, Catalysis, Amide, Decarbonylation

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Mechanisms of chemoselectivity for acyl and decarbonylative Suzuki–Miyaura coupling of N-acetyl amide with arylboronic acid catalyzed by Pd and Ni catalysts: Insights from DFT calculations — Research Paper | ScholarLens