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A DFT Investigation of the Reactivity of Guanidinium Salts in Tandem aza-Michael Addition/Intramolecular Cyclization

A proposed mechanism of the reaction of guanidinium chlorides with dimethyl acetylenedicarboxylate in a tandem aza-Michael addition reaction/intramolecular cyclization was investigated by DFT M06-2X and B3LYP computational approaches. The energies of the products were compared against the G3, M08-HX...

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Detalles Bibliográficos
Autores principales:	Glasovac, Zoran, Barešić, Luka, Margetić, Davor
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10005421/ https://www.ncbi.nlm.nih.gov/pubmed/36903463 http://dx.doi.org/10.3390/molecules28052218

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