American Chemical Society
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Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning

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posted on 2018-03-27, 00:00 authored by Matthew K. Nielsen, Derek T. Ahneman, Orestes Riera, Abigail G. Doyle
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.