Reactions of malononitrile dimer with isothiocyanates

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 sp...

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主要な著者:	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.
フォーマット:	Статья
言語:	English
出版事項:	Pleiades journals 2021
主題:	Isothiocyanates Quantum chemical calculations 2-amino-1,1,3-tricyanopropene 2-thioxopyridines 2H-thiopyrans Heterocyclization
オンライン･アクセス:	https://dspace.ncfu.ru/handle/20.500.12258/18060
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id	ir-20.500.12258-18060
record_format	dspace
spelling	ir-20.500.12258-180602025-02-12T14:00:04Z Reactions of malononitrile dimer with isothiocyanates 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. Isothiocyanates Quantum chemical calculations 2-amino-1,1,3-tricyanopropene 2-thioxopyridines 2H-thiopyrans Heterocyclization 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 2021-09-01T13:04:47Z 2021-09-01T13:04:47Z 2021 Статья 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 http://hdl.handle.net/20.500.12258/18060 en Russian Journal of General Chemistry application/pdf application/pdf Pleiades journals
institution	СКФУ
collection	Репозиторий
language	English
topic	Isothiocyanates Quantum chemical calculations 2-amino-1,1,3-tricyanopropene 2-thioxopyridines 2H-thiopyrans Heterocyclization
spellingShingle	Isothiocyanates Quantum chemical calculations 2-amino-1,1,3-tricyanopropene 2-thioxopyridines 2H-thiopyrans Heterocyclization 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. Reactions of malononitrile dimer with isothiocyanates
description	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
format	Статья
author	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.
author_facet	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.
author_sort	Dotsenko, V. V.
title	Reactions of malononitrile dimer with isothiocyanates
title_short	Reactions of malononitrile dimer with isothiocyanates
title_full	Reactions of malononitrile dimer with isothiocyanates
title_fullStr	Reactions of malononitrile dimer with isothiocyanates
title_full_unstemmed	Reactions of malononitrile dimer with isothiocyanates
title_sort	reactions of malononitrile dimer with isothiocyanates
publisher	Pleiades journals
publishDate	2021
url	https://dspace.ncfu.ru/handle/20.500.12258/18060
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Reactions of malononitrile dimer with isothiocyanates

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