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https://dspace.uzhnu.edu.ua/jspui/handle/lib/11679
Title: | СИНТЕЗ ТА ДОСЛІДЖЕННЯ 2-(5-АМІНО-4-ФЕНІЛ-1,2,4-ТРИАЗОЛ-3-ІЛСУЛЬФАНІЛ)АЦЕТОГІДРАЗИДУ ЯК АНАЛОГА ІЗОНІАЗИДУ |
Other Titles: | SYNTHESIS AND THEORETICAL STUDY OF 2-[(5-AMINO-4-PHENYL-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETOHYDRAZIDE AS AN ANALOGUE OF ISONIAZID |
Authors: | Фізер, Максим Михайлович Фізер, Оксана Іванівна Девіняк, Олег Теодозійович Сливка, Михайло Васильович Лендєл, Василь Георгійович |
Keywords: | 2-[(5-Amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide, synthesis, theoretical study, Fukui function |
Issue Date: | 3-Sep-2016 |
Publisher: | УжНУ |
Citation: | Fizer M.M., Fizer O.I., Devinyak O.T. Slivka M.V., Lendel V.G. Synthesis and theoretical study of 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide as an analogue of isoniazid. // Scientific Bulletin of the Uzhgorod University. Series «Chemistry». 2016. № 1 (35). Р. 62-67. |
Series/Report no.: | Наукова стаття;2016-21 |
Abstract: | 2-[(5-Amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide I was synthesized and theoreticaly investigated for its similarity to a known drug isoniazid. Similar fragments between these two molecules were established and electrostatic potential, partial atomic charges and Fukui function were analysed. The reactivity of the synthesized triazole was predicted and the most likely reactive sites based on nucleophilic, electrophilic or radical attack were determined. We calculated intramolecular noncovalent interaction and defined several types of Hydrogen bond. |
Type: | Text |
Publication type: | Стаття |
URI: | https://dspace.uzhnu.edu.ua/jspui/handle/lib/11679 |
ISSN: | 2414-0260 |
Appears in Collections: | Наукові публікації кафедри органічної хімії |
Files in This Item:
File | Description | Size | Format | |
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Фізер_Стаття_13-09-2016.doc | текст статті | 1.52 MB | Microsoft Word | View/Open |
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