Deoxyfluorination with sulfonyl fluorides: Navigating reaction space with machine learning

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

Research output: Contribution to journalArticle

42 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)5004-5008
Number of pages5
JournalJournal of the American Chemical Society
Volume140
Issue number15
DOIs
StatePublished - Apr 18 2018

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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