BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection.
Chemical communications (Cambridge, England)
Royal Society of Chemistry
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Reid, J. P., Ermanis, K., & Goodman, J. (2019). BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection.. Chemical communications (Cambridge, England), 55 (12), 1778-1781. https://doi.org/10.1039/c8cc09344j
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.
EPSRC Leverhulme Isaac Newton trust
Isaac Newton Trust (17.08(D))
Leverhulme Trust (ECF-2017-255)
External DOI: https://doi.org/10.1039/c8cc09344j
This record's URL: https://www.repository.cam.ac.uk/handle/1810/288938