Merino Pedro, Tejero Tomás, Delso Ignacio, Matute Rosa
Instituto de Biocomputación y Fisica de Sistemas Complejos (BIFI), Universidad de Zaragoza, Campus San Francisco, 50009 Zaragoza, Aragón, Spain.
Org Biomol Chem. 2017 Apr 18;15(16):3364-3375. doi: 10.1039/c7ob00429j.
The reactivity of nitrones in cycloadditions and related reactions is revisited by introducing a topological perspective. In particular, the study of electron localization function (ELF) along a reaction pathway allows evaluating bond reorganization showing that in several cases the bonds are formed in a sequential way, the second one being formed once the first one is already formed. Both classical 1,3-dipolar cycloadditions and Mannich-type reactions revealed unexpected features often underestimated in classical mechanistic studies.
通过引入拓扑学视角，重新审视了硝酮在环加成反应及相关反应中的反应活性。特别是，沿着反应路径对电子定位函数（ELF）的研究能够评估键的重新排列，结果表明在几种情况下，键是以连续的方式形成的，第二个键在第一个键已经形成之后才形成。经典的1,3-偶极环加成反应和曼尼希型反应都揭示了一些在经典机理研究中常常被低估的意外特征。
