Theoretical study of palladium-catalyzed sp3 N-H bond activation oxidative carbonylation of hydrazid

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  A systematic theoretical study has been carried out for the palladium-catalyzed intramolecular cyclocarbonylation reaction of benzohydrazide for the synthesis of 1,3,4-oxadiazole-2(3H)-ones and their derivatives(Fig 1).
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