Water → thiophene-2-carboxylic acid N'-[4-(3-chloro-phenyl)-2-(5,6-dimethoxy benzoimidazol-1-yl)-thiazole-5-carbonyl]-hydrazide

HRID 1561936Notes

Reaction equation

HRID 1561936 reaction equation
[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([O:27][CH3:28])[c:23]([O:25][CH3:26])[cH:24]4)[s:11][c:12]2[C:13](=[O:14])[OH:15])[cH:5][cH:6][cH:7]1.[OH2:76].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[s:29]1[c:30]([C:34](=[O:35])[NH:36][NH2:37])[cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([O:27][CH3:28])[c:23]([O:25][CH3:26])[cH:24]4)[s:11][c:12]2[C:13](=[O:15])[NH:37][NH:36][C:34]([c:30]2[s:29][cH:33][cH:32][cH:31]2)=[O:35])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 73098Thiophene-2-carbohydrazideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 236540194-(3-Chloro-phenyl)-2-(5,6-dimethoxy-benzoimidazol-1-yl)-thiazole-5-carboxylic acid

Product 1

HCID 57595850thiophene-2-carboxylic acid N'-[4-(3-chloro-phenyl)-2-(5,6-dimethoxy benzoimidazol-1-yl)-thiazole-5-carbonyl]-hydrazide

Sources & evidence

ORD record
ord-28e18d22ef81424f9629b467d5d20da3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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