Hydrochloric Acid → 2-Ethoxy-3-[4-[2-[4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]ethoxy]phenyl]propanoic acid
반응식
[CH3:48][OH:49].[Cl:45][CH2:46][Cl:47].[ClH:1].[F:31][C:32]([S:33][c:34]1[cH:35][cH:36][c:37]([N:40]=[C:41]=[O:42])[cH:38][cH:39]1)([F:43])[F:44].[NH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH:19]([C:20](=[O:21])[OH:22])[O:23][CH2:24][CH3:25])[cH:16][cH:17]2)[cH:7][cH:8]1.[Na+:26].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:27][C:28](=[O:29])[O-:30]>>[NH:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH:19]([C:20](=[O:21])[OH:22])[O:23][CH2:24][CH3:25])[cH:16][cH:17]2)[cH:7][cH:8]1)[C:41]([NH:40][c:37]1[cH:36][cH:35][c:34]([S:33][C:32]([F:31])([F:43])[F:44])[cH:39][cH:38]1)=[O:42]참가 물질
9
반응물 8
생성물 1
출처 및 근거
- ORD 기록
- ord-191036abb4c14352a498d0d649849211
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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