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Issue 12, 2019
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BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection

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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 http://www-mmm.ch.cam.ac.uk.

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

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Publication details

The article was received on 23 Nov 2018, accepted on 15 Jan 2019 and first published on 19 Jan 2019


Article type: Communication
DOI: 10.1039/C8CC09344J
Citation: Chem. Commun., 2019,55, 1778-1781

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

    J. P. Reid, K. Ermanis and J. M. Goodman, Chem. Commun., 2019, 55, 1778
    DOI: 10.1039/C8CC09344J

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