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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...

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Detalles Bibliográficos
Autores principales: Bhattacharyya, S., Hatua, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2018
Materias:
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