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BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection

Author:
Reid, Jolene P., Ermanis, Kristaps, Goodman, Jonathan M.
Source:
Chemical communications 2019 v.55 no.12 pp. 1778-1781
ISSN:
1364-548X
Subject:
Lewis bases, catalysts, chemical communication, chemical reactions, databases, imines, phosphoric acid, world wide web
Abstract:
A catalyst selection program, BINOPtimal, has been developed. This interactive web tool selects the best performing chiral phosphoric acid catalysts from analysis of the starting materials, imine and nucleophile, on the basis of rules derived from the transformations within its database. This procedure has been applied to an example transformation demonstrating the potential to assist reaction design. The tool is available at www-mmm.ch.cam.ac.uk.
Agid:
6302182