1.
Org Biomol Chem
; 17(7): 1767-1772, 2019 02 13.
Article
in English
| MEDLINE
| ID: mdl-30456397
ABSTRACT
Quantum mechanical calculations (DLPNO-CCSD(T) and dispersion-corrected DFT) are employed to gain insights into the mechanism and selectivity in the catalytic synthesis of dihydropyrido[1,2-a]indoles from the cascade reaction between nitrones and allenes. Implications for controlling diverging pathways is discussed.