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Catalyst design in C–H activation: a case study in the use of binding free energies to rationalise intramolecular directing group selectivity in iridium catalysis

Remote directing groups in a bifunctional molecule do not always behave independently of one another in C–H activation chemistries. A combined DFT and experimental mechanistic study to provide enhanced Ir catalysts for chemoselective C–H deuteration of bifunctional aryl primary sulfonamides is descr...

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Detalles Bibliográficos
Autores principales: Kerr, William J., Knox, Gary J., Reid, Marc, Tuttle, Tell
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8132953/
https://www.ncbi.nlm.nih.gov/pubmed/34040751
http://dx.doi.org/10.1039/d1sc01509e