Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses,Angewandte Chemie International Edition

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Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2017-11-15 05:41:02 , DOI: 10.1002/anie.201709163
Andrew Ballard ₁ , Hiwa O. Ahmad _{1,

2} , Stefania Narduolo ₁ , Lucy Rosa ₃ , Nikki Chand ₃ , David A. Cosgrove ₃ , Peter Varkonyi ₄ , Nabil Asaad ₃ , Simone Tomasi ₅ , Niklaas J. Buurma ₁ , Andrew G. Leach ₆

Affiliation

The racemization potential of complex organic molecules has been predicted using simple quantum mechanical calculations and a group additivity scheme. Organic chemists can first check whether a given synthetic targets will be configurationally stable before embarking on a potentially lengthy and expensive chiral synthesis.

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