Abstract
Quantum-chemical study of the mechanism of formation of 1- and 2-(trimethylsilylmethyl)benzo- triazoles, including the reaction of 1,2,3-benzotriazole with sodium methoxide, showed that the predominant formation of the 1-substituted isomer is determined by favorable combination of the thermodynamic and kinetic parameters of the process.
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Shagun, V.A., Brodskaya, E.I., Trofimova, O.M. et al. Quantum-Chemical Study of the Mechanism of Formation of 1- and 2-(Trimethylsilylmethyl)benzotriazoles. Russian Journal of Organic Chemistry 39, 1511–1516 (2003). https://doi.org/10.1023/B:RUJO.0000010572.84641.8d
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DOI: https://doi.org/10.1023/B:RUJO.0000010572.84641.8d