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

HRID 1124973
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HRID 1124973 반응식
[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[ClH:40].[NH:21]([NH2:22])[C:23](=[S:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[OH2:41].[OH:1][c:2]1[c:3]([C:18]([CH3:19])=[O:20])[n:4][n:5]([CH3:17])[c:6]1-[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1>>[OH:1][c:2]1[c:3]([C:18]([CH3:19])=[N:22][NH:21][C:23](=[S:24])[NH:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[n:4][n:5]([CH3:17])[c:6]1-[c:7]1[cH:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]1
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참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 27573784-(4-Carboxyphenyl)-3-thiosemicarbazideHCID 67050195HCID 67050195, 화합물

생성물 1

HCID 723599544-({[2-(1-{4-hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}ethylidene)hydrazino]carbonothioyl}amino)benzoic acid

출처 및 근거

ORD 기록
ord-0069820110f94d718a5d84ab95ff05da
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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