Computational exploration of the reaction mechanism of the Cu+- catalysed synthesis of indoles from N-aryl enaminones
We have studied the role of Cu+-phenantroline as a catalyst in the cyclization of N-aryl-enaminones using density-functional theory computations. The catalyst was found to bind the substrate upon deprotonation of its eneaminone, and to dramatically increase the acidity of the carbon adjacent to the...
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| Formato: | article |
| Idioma: | eng |
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2016
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| Texto completo: | http://hdl.handle.net/10284/5215 |
| País: | Portugal |
| Oai: | oai:bdigital.ufp.pt:10284/5215 |