title: The mechanism of the NHC catalyzed aza-Morita-Baylis-Hillman reaction: insights into a new substrate-catalyzed bimolecular pathway.
abstract: The first mechanistic study on the NHC-catalyzed aza-MBH reaction between cyclopentenone and N-mesylbenzaldimine using density functional theory reveals that a bimolecular mechanism, involving two molecules of benzaldimine in the proton transfer, is energetically more preferred over the conventional direct proton transfer.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India. sunoj@chem.iitb.ac.in.
authors.forename: Pritha
authors.initials: P
authors.lastname: Verma
authors.forename: Pragya
authors.initials: P
authors.lastname: Verma
authors.forename: Raghavan B
authors.initials: RB
authors.lastname: Sunoj