Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning
2018; American Chemical Society; Volume: 140; Issue: 15 Linguagem: Inglês
10.1021/jacs.8b01523
ISSN1943-2984
AutoresMatthew K. Nielsen, Derek T. Ahneman, Orestes Riera, Abigail G. Doyle,
Tópico(s)Synthetic Organic Chemistry Methods
ResumoThrough 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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