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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Autors principals:	Jiajia He, Dianyong Tang, Changwei Hu, Zhishan Su
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2021-03-01
Col·lecció:	Molecules
Matèries:	aza-Henry reaction ketimine guanidine–amide DFT calculation mechanistic investigation catalyst design
Accés en línia:	https://www.mdpi.com/1420-3049/26/7/1965
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