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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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| Udgivet i: | Beilstein J Org Chem |
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| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Beilstein-Institut
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6071690/ https://ncbi.nlm.nih.gov/pubmed/30112079 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.14.148 |
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