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

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 proced...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2019-02, Vol.55 (12), p.1778-1781
Main Authors: Reid, Jolene P, Ermanis, Kristaps, Goodman, Jonathan M
Format: Article
Language:English
Subjects:
Cartesian coordinates
Catalysis
Catalysts
Phosphoric acid
Transformations
Webs
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Summary: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 . A catalyst selection program, BINOPtimal, has been developed.
ISSN:1359-7345
1364-548X
DOI:10.1039/c8cc09344j