Literature DB >> 29584953

Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning.

Matthew K Nielsen1, Derek T Ahneman1, Orestes Riera1, Abigail G Doyle1.   

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.

Entities:  

Year:  2018        PMID: 29584953     DOI: 10.1021/jacs.8b01523

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  20 in total

1.  Bayesian reaction optimization as a tool for chemical synthesis.

Authors:  Benjamin J Shields; Jason Stevens; Jun Li; Marvin Parasram; Farhan Damani; Jesus I Martinez Alvarado; Jacob M Janey; Ryan P Adams; Abigail G Doyle
Journal:  Nature       Date:  2021-02-03       Impact factor: 49.962

2.  Unified Deep Learning Model for Multitask Reaction Predictions with Explanation.

Authors:  Jieyu Lu; Yingkai Zhang
Journal:  J Chem Inf Model       Date:  2022-03-10       Impact factor: 4.956

3.  A transfer learning approach for reaction discovery in small data situations using generative model.

Authors:  Sukriti Singh; Raghavan B Sunoj
Journal:  iScience       Date:  2022-06-22

4.  Pyrrolidine and oxazolidine ring transformations in proline and serine derivatives of α-hydroxyphosphonates induced by deoxyfluorinating reagents.

Authors:  Patrycja Kaczmarek; Magdalena Rapp; Henryk Koroniak
Journal:  RSC Adv       Date:  2018-07-06       Impact factor: 4.036

5.  Direct Radiofluorination of Arene C-H Bonds via Photoredox Catalysis Using a Peroxide as the Terminal Oxidant.

Authors:  Li Wang; Alexander R White; Wei Chen; Zhanhong Wu; David A Nicewicz; Zibo Li
Journal:  Org Lett       Date:  2020-10-01       Impact factor: 6.005

Review 6.  Quantitative Structure-Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future.

Authors:  Andrew F Zahrt; Soumitra V Athavale; Scott E Denmark
Journal:  Chem Rev       Date:  2019-12-30       Impact factor: 60.622

7.  Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis.

Authors:  Xin Yi See; Xuelan Wen; T Alexander Wheeler; Channing K Klein; Jason D Goodpaster; Benjamin R Reiner; Ian A Tonks
Journal:  ACS Catal       Date:  2020-11-05       Impact factor: 13.084

8.  Controlling an organic synthesis robot with machine learning to search for new reactivity.

Authors:  Jarosław M Granda; Liva Donina; Vincenza Dragone; De-Liang Long; Leroy Cronin
Journal:  Nature       Date:  2018-07-18       Impact factor: 49.962

Review 9.  Digitising chemical synthesis in automated and robotic flow.

Authors:  Tomas Hardwick; Nisar Ahmed
Journal:  Chem Sci       Date:  2020-10-07       Impact factor: 9.825

10.  Photoredox-catalyzed aminofluorosulfonylation of unactivated olefins.

Authors:  Tao Zhong; Ji-Tao Yi; Zhi-Da Chen; Quan-Can Zhuang; Yong-Zhao Li; Gui Lu; Jiang Weng
Journal:  Chem Sci       Date:  2021-06-07       Impact factor: 9.825

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