Literature DB >> 31903462

Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut-Currier and [3+2] annulation sequence.

Masaru Kondo1, H D P Wathsala, Makoto Sako, Yutaro Hanatani, Kazunori Ishikawa, Satoshi Hara, Takayuki Takaai, Takashi Washio, Shinobu Takizawa, Hiroaki Sasai.   

Abstract

A highly atom-economical enantioselective organocatalyzed Rauhut-Currier and [3+2] annulation sequence has been established by using a flow system. Suitable flow conditions were explored through reaction screening of multiple parameters using machine learning. Eventually, functionalized chiral spirooxindole analogues were obtained in high yield with good ee as a single diastereomer within one minute.

Year:  2020        PMID: 31903462     DOI: 10.1039/c9cc08526b

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  3 in total

1.  Machine learning enabling prediction of the bond dissociation enthalpy of hypervalent iodine from SMILES.

Authors:  Masaya Nakajima; Tetsuhiro Nemoto
Journal:  Sci Rep       Date:  2021-10-12       Impact factor: 4.379

Review 2.  Machine Learning Applications for Chemical Reactions.

Authors:  Sanggil Park; Herim Han; Hyungjun Kim; Sunghwan Choi
Journal:  Chem Asian J       Date:  2022-05-30

3.  Combining generative artificial intelligence and on-chip synthesis for de novo drug design.

Authors:  Francesca Grisoni; Berend J H Huisman; Alexander L Button; Michael Moret; Kenneth Atz; Daniel Merk; Gisbert Schneider
Journal:  Sci Adv       Date:  2021-06-11       Impact factor: 14.136

  3 in total

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