Ontology highlight
ABSTRACT:
SUBMITTER: Orlandi M
PROVIDER: S-EPMC5658244 | biostudies-other | 2017 Nov
REPOSITORIES: biostudies-other
Angewandte Chemie (International ed. in English) 20171004 45
The study of the oxidative amination of tetrahydroisoquinolines under chiral-anion phase-transfer (CAPT) catalysis by multidimensional correlation analysis (MCA) is revisited. The parameterization of the transition states (TSs) for the uncatalyzed reaction, the introduction of conformational descriptors, and the use of computed interaction energies and distances as parameters allowed access to a considerably simplified mathematical correlation of substrate and catalyst structure to enantioselect ...[more]