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Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines"
dc.creator | Nikolić, Andrea | |
dc.creator | Stanić, Jelena | |
dc.creator | Zlatar, Matija | |
dc.creator | Gruden, Maja | |
dc.creator | Anđelković, Boban | |
dc.creator | Selaković, Života | |
dc.creator | Ajdačić, Vladimir | |
dc.creator | Opsenica, Igor | |
dc.date.accessioned | 2021-04-14T12:47:56Z | |
dc.date.available | 2021-04-14T12:47:56Z | |
dc.date.issued | 2021 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/4444 | |
dc.description.abstract | Copies of 1H and 13C NMR spectra for the synthesized compounds; Extended computational results, and total electronic energies, number of imaginary frequencies; Cartesian coordinates of all structures. | |
dc.publisher | American Chemical Society (ACS) | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | Serbian Academy of Sciences and Arts (01-2019-F65) | |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/256716/EU// | |
dc.relation.isreferencedby | https://doi.org/10.1021/acs.joc.1c00282 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/4431 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/4443 | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/4.0/ | |
dc.source | The Journal of Organic Chemistry | en |
dc.subject | Pd-catalyzed N-arylation | |
dc.subject | synthesis | |
dc.subject | tetrazoles | |
dc.subject | DFT | |
dc.subject | mechanism | |
dc.subject | Dimroth rearrangement | |
dc.subject | stability | |
dc.subject | NMR analysis | |
dc.subject | thermodynamical control | |
dc.subject | reactions | |
dc.subject | equilibrium | |
dc.subject | rate-determining step | |
dc.subject | isomers | |
dc.subject | 1H-NMR spectra | |
dc.subject | 13C{1H} NMR spectra | |
dc.subject | Cartesian coordinates | |
dc.title | Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines" | en |
dc.type | dataset | en |
dc.rights.license | BY-NC | |
dcterms.abstract | Николић, Aндреа; Станић, Јелена; Опсеница, Игор; Селаковић, Живота; Aјдачић, Владимир; Груден, Маја; Aнђелковић, Бобан; Златар, Матија; | |
dc.description.other | This is the supporting information for the article: Nikolić, A., Stanić, J., Zlatar, M., Gruden, M., Anđelković, B., Selaković, Ž., Ajdačić, V.,& Opsenica, I. (2021). Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines. The Journal of Organic Chemistry, American Chemical Society (ACS)., 86(6), 4794-4803. [https://doi.org/10.1021/acs.joc.1c00282] | |
dc.description.other | The published version: [https://cer.ihtm.bg.ac.rs/handle/123456789/4431] | |
dc.description.other | The peer-reviewed version: [https://cer.ihtm.bg.ac.rs/handle/123456789/4443] | |
dc.identifier.doi | 10.1021/acs.joc.1c00282.s001 | |
dc.identifier.fulltext | https://cer.ihtm.bg.ac.rs/bitstream/id/19820/jo1c00282_si_001.pdf | |
dc.type.version | publishedVersion |