The semiempirical MINDO/3 method has been used to study the second step of the BAC2 mechanism of neutral esters. Our results show that acyl–oxygen bond dissociation precedes hydroxylic hydrogen transfer.
J. J. Maraver, E. S. Marcos and J. Bertrán, J. Chem. Soc., Perkin Trans. 2, 1986, 1323 DOI: 10.1039/P29860001323
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