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Theoretical investigation of Banert cascade reaction
Computational inside of Banert cascade reaction for triazole formation is studied with B3LYP/6-31G(d,p) level of theory. The reaction proceeds mainly by SN2 initial chloride displacement rather than SN2′-type attack. Furthermore, according to the rate of reaction calculation, SN2 displacement is muc...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society Publishing
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5936888/ https://www.ncbi.nlm.nih.gov/pubmed/29765623 http://dx.doi.org/10.1098/rsos.171075 |