Electro-induced carbamoylation of arenes optimized by a machine learning model

In this article, we report the electro-induced C–H functionalization of aromatic compounds by isocyanides and water, to produce arylcarboxamides. This controlled oxidation of electron-rich aromatic compounds leads to an eco-efficient synthesis of secondary benzocarboxamides, along with cyanide group formation. The optimization process was guided by a Bayesian optimization-based model, and good yields were quickly obtained.

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Publication Details

Journal
Comptes Rendus Chimie
Published
2025-11-19
DOI
https://doi.org/10.5802/crchim.431
Primary Topic
Radical Photochemical Reactions
Type
article
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article

Electro-induced carbamoylation of arenes optimized by a machine learning model

Maximilian Fleck, Virgile Rouffeteau, Maxime R. Vitale, Laurence Grimaud et al.
Comptes Rendus Chimie
Radical Photochemical Reactions
article

Electro-induced carbamoylation of arenes optimized by a machine learning model

Maximilian Fleck, Virgile Rouffeteau, Maxime R. Vitale, Laurence Grimaud, Clara Perrier
article en

Abstract

In this article, we report the electro-induced C–H functionalization of aromatic compounds by isocyanides and water, to produce arylcarboxamides. This controlled oxidation of electron-rich aromatic compounds leads to an eco-efficient synthesis of secondary benzocarboxamides, along with cyanide group formation. The optimization process was guided by a Bayesian optimization-based model, and good yields were quickly obtained.

Comptes Rendus ChimieVol. 29(G1)
Centre National de la Recherche Scientifique (FR), Chimie ParisTech - PSL (FR), Université Paris Sciences et Lettres (FR), École Normale Supérieure - PSL (FR), Sorbonne Université (FR), Institut Parisien de Chimie Moléculaire (FR)
Openalex Percentile: Top 32%
Radical Photochemical Reactions
DOIOpen Access PDFOpenAlex
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Electro-induced carbamoylation of arenes optimized by a machine learning model — Maximilian Fleck, Virgile Rouffeteau, et al. · Comptes Rendus Chimie (2025) | TGRS Research Map | TGRS