dc.contributor.author | Andrade Sampedro, Paula | |
dc.contributor.author | Matxain Beraza, Jon Mattin | |
dc.contributor.author | Correa Navarro, Arkaitz | |
dc.date.accessioned | 2021-01-25T16:05:49Z | |
dc.date.available | 2021-01-25T16:05:49Z | |
dc.date.issued | 2020-09-17 | |
dc.identifier.citation | Journal of Organic Chemistry 85(20) : 13133-13140 (2020) | es_ES |
dc.identifier.issn | 0022-3263 | |
dc.identifier.uri | http://hdl.handle.net/10810/49859 | |
dc.description.abstract | Despite the widespread use of cross-dehydrogenative couplings in modern organic synthesis, mechanistic studies are still rare in the literature and those applied to α-amino carbonyl compounds remain virtually unexplored. Herein, the mechanism of Co-catalyzed cross-dehydrogenative couplings of N-aryl glycinates with indoles is described. Density functional theory studies supported the formation of an imine-type intermediate as the more plausible transient electrophilic species. Likewise, key information regarding the role of the N-aryl group and free NH motif within the reaction outcome has been gained, which may set the stage for further developments in this field of expertise. | es_ES |
dc.description.sponsorship | Ministerio de Ciencia e Innovación (RTI2018-093721-B-I00) Eusko Jaurlaritza (IT1033-16; IT1254-19) | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation | info:eu-repo/grantAgreement/MCI/RTI2018-093721-B-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.subject | mechanism | es_ES |
dc.subject | DFT studies | es_ES |
dc.subject | peptide modification | es_ES |
dc.subject | CDC | es_ES |
dc.subject | glycine | es_ES |
dc.title | On the Mechanism of Cross-Dehydrogenative Couplings between N-Aryl Glycinates and Indoles: A Computational Study | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | (c) 2020 American Chemical Society | es_ES |
dc.relation.publisherversion | https://doi.org/10.1021/acs.joc.0c01816 | es_ES |
dc.identifier.doi | 10.1021/acs.joc.0c01816 | |
dc.departamentoes | Química orgánica I | es_ES |
dc.departamentoeu | Kimika organikoa I | es_ES |