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Imidazole → 5-Amino-3-(4-sulfamoyl-phenylamino)-[1,2,4]triazole-1-carbothioic acid (4-phenoxy-phenyl)-amide

HRID 122758
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HRID 122758 반응식
[C:1](=[S:2])([c:3]1[nH:4][cH:5][cH:6][n:7]1)[c:8]1[nH:9][cH:10][cH:11][n:12]1.[CH3:49][C:50]#[N:51].[NH2:32][c:33]1[n:34][c:35]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]2)[n:36][nH:37]1.[O:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[nH:27]1[cH:28][cH:29][n:30][cH:31]1>>[C:1](=[S:2])([NH:24][c:23]1[cH:22][cH:21][c:20]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:26][cH:25]1)[n:37]1[c:33]([NH2:32])[n:34][c:35]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[NH2:48])[cH:43][cH:44]2)[n:36]1
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HCID 795ImidazoleHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8764(4-Aminophenoxy)benzeneHCID 113797954-((3-amino-1H-1,2,4-triazol-5-yl)amino)benzenesulfonamideHCID 11412697Thiocarbonyl diimidazole

생성물 1

HCID 58976467
5-Amino-3-(4-sulfamoyl-phenylamino)-[1,2,4]triazole-1-carbothioic acid (4-phenoxy-phenyl)-amide

출처 및 근거

ORD 기록
ord-8f0cc658d0ba4d3da7db23d76340c94d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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