Machine learning directed discovery and optimisation of a platinum-catalysed amide reduction

The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst. The optimisation leads to the discovery of a new platinum-based catalytic system that d...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2024-12, Vol.6 (98), p.14597-146
Hauptverfasser: Casillo, Eleonora, Maliszewski, Benon P, Urbina-Blanco, César A, Scattolin, Thomas, Cazin, Catherine S. J, Nolan, Steven P
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Sprache:eng
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Zusammenfassung:The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst. The optimisation leads to the discovery of a new platinum-based catalytic system that displays unexpectedly high performance. The approach enables rapid and high conversions at ppm-level catalyst loadings. The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst.
ISSN:1359-7345
1364-548X
1364-548X
DOI:10.1039/d4cc05273k