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2-Amino-4-methyl-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide → 5-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-(2-hydroxy-1,1-dimethyl-ethylsulfamoyl)-4-methyl-thiazol-2-yl]-amide

HRID 1123294
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HRID 1123294 반응식
[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17]3[n:18]([c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[n:25][cH:26][c:27]3[C:28](=[O:29])[OH:30])[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14])([F:31])[F:32].[OH:33][CH2:34][C:35]([CH3:36])([CH3:37])[NH:38][S:39](=[O:40])(=[O:41])[c:42]1[c:43]([CH3:48])[n:44][c:45]([NH2:47])[s:46]1>>[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7](-[c:15]2[n:16][c:17]3[n:18]([c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[n:25][cH:26][c:27]3[C:28](=[O:29])[NH:47][c:45]2[n:44][c:43]([CH3:48])[c:42]([S:39]([NH:38][C:35]([CH2:34][OH:33])([CH3:36])[CH3:37])(=[O:40])=[O:41])[s:46]2)[cH:8][cH:9][c:10]1[C:11]([F:12])([F:13])[F:14])([F:31])[F:32]
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참가 물질

3

반응물 2

HCID 866070982-Amino-4-methyl-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amideHCID 866071155-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

생성물 1

HCID 119961135-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-(2-hydroxy-1,1-dimethyl-ethylsulfamoyl)-4-methyl-thiazol-2-yl]-amide

출처 및 근거

ORD 기록
ord-93b48c5007ae4e519bcefc311d34cd50
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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