ja8b01523_si_002.zip (2.18 MB)
Download fileDeoxyfluorination 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. DoyleThrough
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.