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A reactivity model for oxidative addition to palladium enables quantitative predictions for catalytic cross-coupling reactions

Making accurate, quantitative predictions of chemical reactivity based on molecular structure is an unsolved problem in chemical synthesis, particularly for complex molecules. We report an approach to reactivity prediction for catalytic reactions based on quantitative structure-reactivity models for...

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Detalles Bibliográficos
Autores principales: Lu, Jingru, Donnecke, Sofia, Paci, Irina, Leitch, David C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8943861/
https://www.ncbi.nlm.nih.gov/pubmed/35432873
http://dx.doi.org/10.1039/d2sc00174h