BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection.
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Peer-reviewed
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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.
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0399 Other Chemical Sciences
Journal Title
Chem Commun (Camb)
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Journal ISSN
1359-7345
1364-548X
1364-548X
Volume Title
55
Publisher
Royal Society of Chemistry (RSC)
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Sponsorship
Isaac Newton Trust (17.08(D))
Leverhulme Trust (ECF-2017-255)
Leverhulme Trust (ECF-2017-255)
EPSRC
Leverhulme
Isaac Newton trust