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Hydrochloric Acid → 4-{[(2-{1-[5-(3,5-dimethylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonothioyl]amino}benzoic acid

HRID 2153571
Notes
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Reaction equation

HRID 2153571 reaction equation
[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[c:10]([OH:18])[c:11]([C:15]([CH3:16])=[O:17])[n:12][n:13]2[CH3:14])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[ClH:38].[NH:19]([NH2:20])[C:21](=[S:22])[NH:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1.[OH2:39]>>[CH3:1][c:2]1[cH:3][c:4](-[c:9]2[c:10]([OH:18])[c:11]([C:15]([CH3:16])=[N:20][NH:19][C:21](=[S:22])[NH:23][c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[n:12][n:13]2[CH3:14])[cH:5][c:6]([CH3:8])[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 27573784-(4-Carboxyphenyl)-3-thiosemicarbazideHCID 670502161-[5-(3,5-dimethylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone

Product 1

HCID 72359971
4-{[(2-{1-[5-(3,5-dimethylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonothioyl]amino}benzoic acid

Sources & evidence

ORD record
ord-5cdb77ad64d04686a6aee03ba1905068
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes