Mechanistic DFT Study of 1,3-Dipolar Cycloadditions of Azides with Guanidine

Density functional calculations SMD(chloroform)//B3LYP/6-311+G(2d,p) were employed in the computational study of 1,3-dipolar cycloadditions of azides with guanidine. The formation of two regioisomeric tetrazoles and their rearrangement to cyclic aziridines and open-chain guanidine products were mode...

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Detalles Bibliográficos
Autores principales: Antol, Ivana, Glasovac, Zoran, Margetić, Davor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004754/
https://www.ncbi.nlm.nih.gov/pubmed/36903588
http://dx.doi.org/10.3390/molecules28052342

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10004754/
https://www.ncbi.nlm.nih.gov/pubmed/36903588
http://dx.doi.org/10.3390/molecules28052342

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