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Hydrochloric Acid → 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-nitrobenzoic acid

HRID 1126278
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반응식

HRID 1126278 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:36])[c:13]([C:17]([CH3:18])=[N:19][NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]([N+:33](=[O:34])[O-:35])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH3:37][OH:38].[ClH:41].[Na+:40].[OH-:39].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:36])[c:13]([C:17]([CH3:18])=[N:19][NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]([N+:33](=[O:34])[O-:35])[c:26]([C:27](=[O:28])[OH:29])[cH:31][cH:32]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 86604753methyl 4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-nitrobenzoate

생성물 1

HCID 72359968
4-[(2-{1-[5-(4-tert-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene}hydrazino)carbonyl]-2-nitrobenzoic acid

출처 및 근거

ORD 기록
ord-0219a1dce50d40daadcf17494fdd1057
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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