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http://dspace.nuph.edu.ua/handle/123456789/21990Полная запись метаданных
| Поле DC | Значение | Язык |
|---|---|---|
| dc.contributor.author | Perekhoda, L. O. | - |
| dc.contributor.author | Yeromina, H. O. | - |
| dc.contributor.author | Yeromina, Z. G. | - |
| dc.contributor.author | Sheykina, N. V. | - |
| dc.contributor.author | Krasovskyi, I. V. | - |
| dc.contributor.author | Krasovska, M. V. | - |
| dc.contributor.author | Storozhenko, I. P. | - |
| dc.contributor.author | Перехода, Л. О. | - |
| dc.contributor.author | Перехода, Л. А. | - |
| dc.contributor.author | Єрьоміна, Г. О. | - |
| dc.contributor.author | Еремина, А. А. | - |
| dc.contributor.author | Єрьоміна, З. Г. | - |
| dc.contributor.author | Еремина, З. Г. | - |
| dc.contributor.author | Шейкина, Н. В. | - |
| dc.contributor.author | Красовський, І. В. | - |
| dc.contributor.author | Красовский, И. В. | - |
| dc.contributor.author | Красовская, М. В. | - |
| dc.contributor.author | Красовська, М. В. | - |
| dc.contributor.author | Стороженко, І. П. | - |
| dc.contributor.author | Стороженко, И. П. | - |
| dc.date.accessioned | 2020-04-07T21:02:09Z | - |
| dc.date.available | 2020-04-07T21:02:09Z | - |
| dc.date.issued | 2019 | - |
| dc.identifier.citation | Quantum-chemical calculations of transitional states thermodynamic parameters of tautomers of initial N,N’-disubstituted thiourea derivative during the cyclization reaction in the conditions of different solvents application / L. O. Perekhoda, H. O. Yeromina, Z. G.Ieromina, N. V. Sheykina, I. V. Krasovskyi, M. V. Krasovska, I. P. Storozhenko // Biopolym. Cell. – 2019. – Vol. 35 (6). – P. 467–475. | uk_UA |
| dc.identifier.uri | http://dspace.nuph.edu.ua/handle/123456789/21990 | - |
| dc.description | In all the solvents under study, the cyclization reaction must proceed in one direction to form the N-ethyl-4-phenyl-N’-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3- a]azepin-3-yl) phenyl]-1,3-thiazole-2(3H)-imine. The smallest barrier of initial thiourea tautomers interconversion was observed in the presence of dioxane as a solvent; this fact indicated the advantage of synthesis conducting in this solvent precisely in comparison to ethanol, water, tetrachlormethane and DMFA. Conclusions. Dioxane is the most suitable solvent for cyclization | uk_UA |
| dc.description.abstract | Theoretical substantiation of directions of the cyclization reaction in different solvents by means of quantum-chemical calculations of thermodynamic parameters of three tautomers of the initial N-ethyl-N’-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl) phenyl]thiourea | uk_UA |
| dc.language.iso | en | uk_UA |
| dc.subject | 5Н-[1,2,4]triazol[4,3-а]azepines | uk_UA |
| dc.subject | cyclization | uk_UA |
| dc.subject | quantum-chemical calculations | uk_UA |
| dc.subject | activating energy | uk_UA |
| dc.subject | relative energy | uk_UA |
| dc.subject | saddle point (transitional state) | uk_UA |
| dc.title | Quantum-chemical calculations of transitional states thermodynamic parameters of tautomers of initial N,N’-disubstituted thiourea derivative during the cyclization reaction in the conditions of different solvents application | uk_UA |
| dc.type | Article | uk_UA |
| Располагается в коллекциях: | Наукові публікації кафедри фармацевтичної хімії | |
Файлы этого ресурса:
| Файл | Описание | Размер | Формат | |
|---|---|---|---|---|
| Quantum-chemical calculations_biopolym.cell_12 2019.pdf | 472 kB | Adobe PDF | Просмотреть/Открыть |
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