Guanidine–Amide-Catalyzed Aza-Henry Reaction of Isatin-Derived Ketimines: Origin of Selectivity and New Catalyst Design

Density functional theory (DFT) calculations were performed to investigate the mechanism and the enantioselectivity of the aza-Henry reaction of isatin-derived ketimine catalyzed by chiral guanidine–amide catalysts at the M06-2X-D3/6-311+G(d,p)//M06-2X-D3/6-31G(d,p) (toluene, SMD) theoretical level....

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Detalles Bibliográficos
Autores principales: He, Jiajia, Tang, Dianyong, Hu, Changwei, Su, Zhishan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037019/
https://www.ncbi.nlm.nih.gov/pubmed/33807341
http://dx.doi.org/10.3390/molecules26071965

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8037019/
https://www.ncbi.nlm.nih.gov/pubmed/33807341
http://dx.doi.org/10.3390/molecules26071965

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