Studies on the reaction of benzo[x]quinoline N-oxides (X = f, h, and g) with methylsulfinyl carbanion using the semi-empirical molecular orbital method. Liberation of the N-oxide group |
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Authors: | Matsuzaki H Takeuchi I Hamada Y |
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Institution: | Tohoku Pharmaceutical University, Sendai, Japan. |
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Abstract: | The mechanism of the liberation reaction of the N-oxide group has been studied and compared with the methylation reaction using a semi-empirical molecular orbital PM3 method. By comparing the calculated values of Gibbs free energy of activation, we can determine whether a liberation reaction or methylation reaction occurs. |
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