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Isopropanol → 4-[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene]hydrazino}carbonyl)-N-methylbenzenesulfonamide

HRID 2145252
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HRID 2145252 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:36]([OH:37])([CH3:38])[CH3:39].[NH:21]([NH2:22])[C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][CH3:35])[cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[N:22][NH:21][C:23](=[O:24])[c:25]3[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][CH3:35])[cH:29][cH:30]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1
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참가 물질

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반응물 3

HCID 3776IsopropanolHCID 670500841-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanoneHCID 670502144-(hydrazinocarbonyl)-N-methylbenzenesulfonamide

생성물 1

HCID 723601024-[(2-{1-[5-(4-t-butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethylidene]hydrazino}carbonyl)-N-methylbenzenesulfonamide

출처 및 근거

ORD 기록
ord-1a7ee77435544b19a6045091e97c5534
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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