Ontology highlight
ABSTRACT:
SUBMITTER: Yang YF
PROVIDER: S-EPMC6314813 | biostudies-literature | 2017 Dec
REPOSITORIES: biostudies-literature
Journal of the American Chemical Society 20171205 50
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. These inverse electron-demand Diels-Alder reactions of triazines have wide applications in bioorthogonal chemistry and natural product synthesis. Both concerted and stepwise cycloadditions are predicted, ...[more]