Репозиторий научных и учебно-методических публикаций
ФГАОУ ВО «Северо-Кавказский федеральный университет»
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http://hdl.handle.net/20.500.12258/18060| Title: | Reactions of malononitrile dimer with isothiocyanates |
| Authors: | Dotsenko, V. V. Доценко, В. В. Aksenov, N. A. Аксенов, Н. А. Aksenova, I. V. Аксенова, И. В. Shcherbakov, S. V. Щербаков, С. В. Ovcharov, S. N. Овчаров, С. Н. |
| Keywords: | Isothiocyanates;Quantum chemical calculations;2-amino-1,1,3-tricyanopropene;2-thioxopyridines;2H-thiopyrans;Heterocyclization |
| Issue Date: | 2021 |
| Publisher: | Pleiades journals |
| Citation: | Dotsenko V. V.; Bespalov A. V.; Russkikh A. A.; Kindop V. K.; Akseno, N. A.; Aksenov, I. V.; Shcherbako, S. V.; Ovcharo, S. N. Reactions of malononitrile dimer with isothiocyanates // Russian Journal of General Chemistry. - 2021. - Том 91. - Выпуск 6. - Стр.: 951 - 965 |
| Series/Report no.: | Russian Journal of General Chemistry |
| Abstract: | The reaction of 2-amino-1,1,3-tricyanopropene (malononitrile dimer) withisothiocyanates leads to 1-substituted4,6-diamino-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitriles or4,6-diamino-2-(phenylimino)-2H-thiopyran-3,5-dicarbonitrile, depending on the conditions.Quantum-chemical modeling of the IR spectra and reaction routes for thesynthesized compounds was carried out. Insilico predictive analysis of potential protein targets,compliance with bioavailability criteria, and ADMET parameters wasperformed |
| URI: | http://hdl.handle.net/20.500.12258/18060 |
| Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| scopusresults 1830 .pdf Restricted Access | 1.13 MB | Adobe PDF | View/Open | |
| WoS 1177 .pdf Restricted Access | 189.41 kB | Adobe PDF | View/Open |
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