Abstract
Ab initio SCF-MO-LCAO calculations have been performed with a 7s3p/3s GTO basis set for the CH3O-β-lactam + OH− reaction which is related to the mode of action of β-lactam antibiotics. The comparison of the present results with the previous ones for β-lactam + OH− and 3-cephem + OH− shows that the CH3O substitution has a negligible effect on the amidic bond breaking of β-lactam, so that this group probably influences other steps of the antibiotic reactivity of cephaloporins.
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Petrongolo, C., Ranghino, G. Ab initio Study of β-lactam antibiotics. Theoret. Chim. Acta 54, 239–243 (1979). https://doi.org/10.1007/BF00578342
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DOI: https://doi.org/10.1007/BF00578342