Ethanol → N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxamide

HRID 1559887Notizen

Reaktionsgleichung

[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][S:2]([O:3][CH2:6][c:7]1[c:8]([C:23](=[O:24])[NH:25][CH:26]2[CH2:27][CH2:28]2)[n:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][c:15]([C:18](=[O:19])[NH:20][CH2:21][CH3:22])[cH:16][cH:17]1)(=[O:4])=[O:5].[CH3:43][CH2:44][OH:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[K+:33].[K+:34].[Na+:42].[S-:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH2:6]([c:7]1[c:8]([C:23](=[O:24])[NH:25][CH:26]2[CH2:27][CH2:28]2)[n:9][n:10][n:11]1-[c:12]1[cH:13][cH:14][c:15]([C:18](=[O:19])[NH:20][CH2:21][CH3:22])[cH:16][cH:17]1)[S:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1

Komponenten

Edukt 8

HCID 702Ethanol

HCID 813Potassium Cation2×

HCID 923Sodium ion

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 518700Thiophenoxide anion

HCID 86629804(4-[(cyclopropylamino)carbonyl]-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazol-5-yl)methyl methanesulfonate

Produkt 1

HCID 57664805N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxamide

Quellen und Nachweise

ORD-Eintrag: ord-152cc3b6453547419a044bf9f82e00f4
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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