TY  - JOUR
AU  - Gallardo Fuertes, Sebastian
AU  - Lodeiro, Lucas
AU  - Fernández López, Israel
PY  - 2025
DO  - 10.1021/acs.joc.5c00416
UR  - https://hdl.handle.net/20.500.14352/120491
T2  - The Journal of Organic Chemistry
AB  - Herein, we present a comprehensive computational study of the reaction mechanism and regioselectivity patterns of the phosphine-catalyzed Heine reaction involving N-benzoylaziridines. Density functional theory (DFT) calculations reveal that the...
LA  - eng
M2  - 6538
PB  - ACS
KW  - Aziridines
KW  - Molecular structure
KW  - Reactivity
KW  - Ring opening reactions
KW  - Selectivity
TI  - Mechanism and Origin of Regioselectivity in the Phosphine-Catalyzed Heine Reaction
TY  - journal article
VL  - 90
ER  -