What controls regiochemistry in 1,3-dipolar cycloadditions of münchnones with nitrostyrenes?
Org Lett
; 15(20): 5218-21, 2013 Oct 18.
Article
em En
| MEDLINE
| ID: mdl-24073889
The distinct experimentally observed regiochemistries of the reactions between mesoionic münchnones and ß-nitrostyrenes or phenylacetylene are shown by DFT/BDA/ETS-NOCV analyses of the transition states to be dominated by steric and reactant reorganization factors, rather than the orbital overlap considerations predicted by Frontier Molecular Orbital (FMO) Theory.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Oxazóis
/
Pirróis
/
Estirenos
Tipo de estudo:
Prognostic_studies
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article