Computational Exploration of Concerted and Zwitterionic Mechanisms of Diels-Alder Reactions between 1,2,3-Triazines and Enamines and Acceleration by Hydrogen-Bonding Solvents.

The mechanisms of Diels−Alder reactions between 1,2,3- triazines and enamines have been explored with density functional theory computations. The focus of this work is on the origins of the different reactivities and mechanisms induced by substituents and by hexafluoroisopropanol (HFIP) solvent. T...

Descripción completa

Detalles Bibliográficos

Publicado en:	Journal of the American Chemical Society Vol. 139; no. 50; pp. 18213 - 18222
Autores principales:	Yun-Fang Yang, Peiyuan Yu, Houk, K. N.
Formato:	Artículo
Publicado:	American Chemical Society 12/20/2017
Materias:	Zwitterions Diels-Alder reaction Triazines Hydrogen bonding interactions Enamines Density functional theory
Acceso en línea:	Ver este registro en EBSCOhost