The asymmetric reduction mechanism of p-methylcyclohexanone by sodium borohydride was investigated with ab initio calcul用从头计算方法对硼氢化钠不对称还原对甲基环己酮的机理进行了研究。
The study shows that though four-member ring transition state mechanism without solvent participation could explain the 计算结果表明，无溶剂参与反应的四元环过渡态机理虽然能解释其还原历程，但计算所得的对映体组成与文献值相差很大。