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. 2018 Apr 18;140(15):5004-5008.
doi: 10.1021/jacs.8b01523. Epub 2018 Apr 3.

Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning

Matthew K Nielsen  1 , Derek T Ahneman  1 , Orestes Riera  1 , Abigail G Doyle  1
Affiliations

Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning

Matthew K Nielsen et al. J Am Chem Soc. .

Abstract

Through fine-tuning of reagent and base structure, sulfonyl fluorides can efficiently fluorinate diverse classes of alcohols. We show that machine learning can map the intricate reaction landscape and enable accurate prediction of high-yielding conditions for untested substrates.

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