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α－溴代丙酰氯分别同四氢噻唑－２－硫酮及（Ｒ）－四氢噻唑－２－硫酮－４－羧酸乙酯反应得到四氢噻唑－２－α－溴代丙酰硫酯２ａ及光学活性４－乙氧羰基四氢噻唑－２－α－溴代丙酰硫酯２ｂ．用半经验的量子化学ＰＭ３方法研究了反应物和产物的电子结构和反应的焓变，得到反应物１ａ异构化的过渡态．
α-Bromopropionyl chloride is respectively reacted with tetrahydrothiazole-2-thione and (R) -tetrahydrothiazole-2-thione-4-carboxylate to obtain tetrahydrothiazole-2-α-bromopropionyl Thioester 2a and optically active 4-ethoxycarbonyltetrahydrothiazole-2-α-bromopropionylthioester 2b. The semi-empirical quantum chemical method PM3 was used to study the electronic structure of the reactants and products and the enthalpy change of the reaction. The isomerization transition state of the reactant 1a was obtained.