title: What is the mechanism of amine conjugate additions to pyrazole crotonate catalyzed by thiourea catalysts?
abstract: Aminoindanol-derived thioureas catalyze proton transfer and do not stabilise anions in an asymmetric conjugate addition to pyrazole crotonate. Calculations show that the urea H-bonds play different roles in the preferred transition state and in the one leading to the minor enantiomer in the mechanism of hydroxy-thiourea catalyzed conjugate additions to pyrazole crotonates.
authors.affiliation: Unilever Centre For Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK.
authors.forename: Luis
authors.initials: L
authors.lastname: Simón
authors.forename: Jonathan M
authors.initials: JM
authors.lastname: Goodman