Electro-induced carbamoylation of arenes optimized by a machine learning model
Year: 2025
Type: article
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.
Source: Comptes Rendus Chimie
DOI: 10.5802/crchim.431
Institutions: Centre National de la Recherche Scientifique, Université Paris Sciences et Lettres, École Normale Supérieure - PSL, Sorbonne Université, Chimie Physique et Chimie du Vivant, Chimie ParisTech - PSL, Chimie Biologique pour le Vivant, Institute of Chemistry for Life and Health Sciences, Institut Parisien de Chimie Moléculaire
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
Funder: Agence Nationale de la Recherche
OpenAlex ID: W7125388396