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4-Amino-5-chloro-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide → 7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-chloro-5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-thiophen-3-yl]-amide

HRID 95134
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HRID 95134 반응식
[F:1][C:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:13])[OH:14])([F:25])[F:26].[OH:27][CH2:28][C:29]([CH3:30])([CH2:31][OH:32])[NH:33][S:34](=[O:35])(=[O:36])[c:37]1[s:38][c:39]([Cl:43])[c:40]([NH2:42])[cH:41]1>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:13])[NH:42][c:40]1[c:39]([Cl:43])[s:38][c:37]([S:34]([NH:33][C:29]([CH2:28][OH:27])([CH3:30])[CH2:31][OH:32])(=[O:35])=[O:36])[cH:41]1)([F:25])[F:26]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 672187954-Amino-5-chloro-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amideHCID 866071127-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

생성물 1

HCID 119976077-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-chloro-5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-thiophen-3-yl]-amide

출처 및 근거

ORD 기록
ord-91c6695b62204ad1b6bc2a9cb42bcbfa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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