Zobrazeno 1 - 10
of 66
pro vyhledávání: '"Vladimir A. Shagun"'
Autor:
Svetlana V. Amosova, Vladimir A. Shagun, Nataliya A. Makhaeva, Irina A. Novokshonova, Vladimir A. Potapov
Publikováno v:
Molecules, Vol 26, Iss 21, p 6685 (2021)
The results of quantum chemical and experimental studies of the reaction of 2-bromomethyl-1,3-thiaselenole with 1,3-benzothiazole-2-thiol made it possible to discover the unprecedented pathway of this reaction, which proceeds stepwise at three differ
Externí odkaz:
https://doaj.org/article/ec9c1efb9b8448faae9c30f54274e1c8
Autor:
Igor B. Rozentsveig, N. A. Korchevin, V. S. Nikonova, Vladimir A. Shagun, Vladimir I. Smirnov, Lidiya M. Sinegovskaya
Publikováno v:
Journal of Sulfur Chemistry. 42:241-250
The mechanism of the formation of 4,5,9,10-tetrahydrocyclocta[1,2-c; 5,8-c′]dithiophene from bis(2-chloropropen-3-yl)sulfide has been studied by quantum chemistry methods, UV, and IR spectroscopy. ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e8617d97b7691555832633420f5ea77
https://doi.org/10.1080/17415993.2020.1844703
https://doi.org/10.1080/17415993.2020.1844703
Publikováno v:
Russian Journal of Organic Chemistry. 55:1853-1863
Electron impact (70 eV) and chemical ionization (methane as reactant gas) mass spectra of 1-alkyl- and 1-[2-(vinyloxy)ethyl]-5-(prop-2-yn-1-ylsulfanyl)-1H-pyrrol-2-amines have been studied for the first time. The title compounds under electron impact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ebc78fb7cae88225fd3073b5d0eeeb47
https://doi.org/10.1134/s1070428019120078
https://doi.org/10.1134/s1070428019120078
Autor:
Valentina S. Nikonova, Nikolay A. Korchevin, Victor V. Manuylov, Tatiana N. Borodina, Vladimir I. Smirnov, Lydia M. Sinegovskaya, Vladimir A. Shagun, Igor B. Rozentsveig
Publikováno v:
Journal of Organometallic Chemistry. 982:122495
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bac39ab0e7fd3e684b9c4ad0ae299cb7
https://doi.org/10.1016/j.jorganchem.2022.122495
https://doi.org/10.1016/j.jorganchem.2022.122495
Publikováno v:
Russian Journal of Organic Chemistry. 55:436-441
Five possible paths of the formation of imidazo[2,1-b][1,3]thiazole fused heterocyclic system in the reaction of 4,5-dihydro-1H-imidazole-2-thiol with 1-iodopropan-2-one have been simulated by DFT B3LYP quantum chemical calculations. Analysis of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8518abb6f00dee884a1edee37bb0a77b
https://doi.org/10.1134/s1070428019040031
https://doi.org/10.1134/s1070428019040031
Autor:
Nina A. Nedolya, Vladimir A. Shagun
Publikováno v:
Russian Journal of Organic Chemistry. 55:362-367
Base-catalyzed low-temperature transformation of alkyl [(buta-2,3-dienimidoyl)sulfanyl]acetates [1-aza-1,3,4-trienes generated from lithiated alkoxy(or 1H-pyrrol-1-yl)allenes, isothiocyanates, and alkyl 2-bromoacetates] to tetrasubstituted thiophenes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a6d2f236e77aade1869ebe1b4a36bc18
https://doi.org/10.1134/s1070428019030151
https://doi.org/10.1134/s1070428019030151
Publikováno v:
Russian Journal of Organic Chemistry. 55:129-136
A quantum-chemical study of the reaction mechanism of 2-mercaptobenzothiazole with (iodomethyl)(dimethyl)phenylsilane in the presence of iodine was performed by the B3LYP/6-311G(d,p) method. Possible routes of formation of annulated heterocyclic syst
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e6d9ed008b832f59845436ba6a6dfeb
https://doi.org/10.1134/s1070428019020015
https://doi.org/10.1134/s1070428019020015
Publikováno v:
Russian Journal of Organic Chemistry. 53:1204-1213
Applying B3LYP/6-31G(d,p) method we have performed a quantum-chemical study of structural transformations of propargyl and acetyl 2-methoxy-N-methylbuta-2,3-dienimidothioates (1-aza-1,3,4-trienes) into pyrroles and thiophenes. Heterocyclization mecha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e1acd05366bceab36f9be3fbc222431
https://doi.org/10.1134/s1070428017080085
https://doi.org/10.1134/s1070428017080085
Publikováno v:
Russian Journal of Organic Chemistry. 53:777-784
Quantum-chemical investigation of the mechanism of reaction between 2-methylimidazole and 1,7-diiodo-2,2,6,6-tetramethyl-2,6-disilaheptane by the method B3LYP/6-311G(d,p) provided thermodynamic and kinetic characteristics of the formation channels of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::86bf3552a9c47439ac5e476b4e9837d9
https://doi.org/10.1134/s1070428017050207
https://doi.org/10.1134/s1070428017050207
Publikováno v:
Russian Journal of Organic Chemistry. 53:423-427
The potential energy surface for the formation of heterocyclic disulfonium dications from 1,3-benzothiazole-2-thiol and 1-iodopropan-2-one has been analyzed at the DFT B3LYP level of theory. The reaction involves oxidation of 1,3-benzothiazole-2-thio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1019954cbfafeee160fba715ee796c18
https://doi.org/10.1134/s1070428017030186
https://doi.org/10.1134/s1070428017030186