Rational selection of co-catalysts for the deaminative hydrogenation of amides
Lluís Artús Suàrez, Upul Jayarathne, David Balcells, Wesley H. Bernskoetter, Nilay Hazari, M. Jaraı́z, Ainara Nova
Abstract
PNP)Fe(H)(CO) a remarkably active system for amide hydrogenation is generated. TBD also enhances the activity of other catalysts for amide hydrogenation and our results provide guidelines for the rational design of future co-catalysts.
Topics & Concepts
CatalysisChemistrySelection (genetic algorithm)Organic chemistryCombinatorial chemistryComputer scienceArtificial intelligenceAsymmetric Hydrogenation and CatalysisChemical Synthesis and AnalysisCatalysis and Hydrodesulfurization Studies