Квантово-химическое изучение гетероциклизации N-(арилсульфонил)-эндо-5-аминометил-экзо-2,3-эпоксибицикло[2.2.1]гептанов
DOI:
https://doi.org/10.15421/080801Keywords:
метод функционала плотности, гетероциклизация, эпоксинорборнанAbstract
С помощью метода функционала плотности в наближенниBHandHLYP/6-31G(d)
локализованы переходные состояния реакции гетероциклизации ароматических производных сульфонамидов ряда эпоксинорборнана. Путем сравнения рассчитанных величин энергии активации показано существенное влияние характера заместителей в ароматическом цикле на ход процесса.
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