Chloride → 4-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]-benzoic acid-[2-hydroxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-ethyl-amide]
반응식
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl-:29].[F:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:6][cH:7]1.[OH:37][CH:38]([CH2:39][NH2:40])[CH:41]1[O:42][C:43]([CH3:46])([CH3:47])[O:44][CH2:45]1.[S:25]([Cl:26])([Cl:27])=[O:28]>>[F:1][c:2]1[cH:3][c:4]([C:21]([F:22])([F:23])[F:24])[c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[NH:40][CH2:39][CH:38]([OH:37])[CH:41]3[O:42][C:43]([CH3:46])([CH3:47])[O:44][CH2:45]3)[cH:19][cH:20]2)[cH:6][cH:7]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-56c52f0854914a838cb2144467a632bd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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