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Proton abstraction mechanism for the palladium-catalyzed intramolecular arylation
Domingo García-Cuadrado1, Ataualpa A C Braga, Feliu Maseras
1Institute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain.
Abstract:
Under the usual conditions, the Pd-catalyzed arylation does not involve an electrophilic aromatic substitution reaction. On the basis of DFT calculations, we propose a mechanism for the Pd-catalyzed arylation that involves a proton abstraction by a carbonate or related ligand and that provides a satisfactory explanation for the experimental data.
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