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

Accepted version
Peer-reviewed

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Type

Article

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Authors

Reid, Jolene P 
Goodman, Jonathan M 

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.

Description

Keywords

0399 Other Chemical Sciences

Journal Title

Chem Commun (Camb)

Conference Name

Journal ISSN

1359-7345
1364-548X

Volume Title

55

Publisher

Royal Society of Chemistry (RSC)
Sponsorship
Isaac Newton Trust (17.08(D))
Leverhulme Trust (ECF-2017-255)
EPSRC Leverhulme Isaac Newton trust