DFT calculations on the mechanism of copper-catalysed tandem arylation–cyclisation reactions of alkynes and diaryliodonium salts

We present a computational mechanistic study on the copper(III)-catalysed carboarylation–ring closure reactions leading to the formation of functionalised heterocycles. We have performed DFT calculations along selected routes and compared their free energy profiles. The calculations considered two v...

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Detalles Bibliográficos
Autores principales: Stenczel, Tamás Károly, Sinai, Ádám, Novák, Zoltán, Stirling, András
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2018
Materias:
Full Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071690/
https://www.ncbi.nlm.nih.gov/pubmed/30112079
http://dx.doi.org/10.3762/bjoc.14.148

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6071690/
https://www.ncbi.nlm.nih.gov/pubmed/30112079
http://dx.doi.org/10.3762/bjoc.14.148

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