Trifluoroacetic acid → {5-[But-2-enyl-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][n:8]1[c:9]([CH2:32][CH2:33][CH3:34])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:28][CH:29]=[CH:30][CH3:31])[cH:16]2)=[O:35].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[O:5]=[C:6]([CH2:7][n:8]1[c:9]([CH2:32][CH2:33][CH3:34])[n:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([N:17]([S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:28][CH:29]=[CH:30][CH3:31])[cH:16]2)[OH:35]참가 물질
3
출처 및 근거
- ORD 기록
- ord-dcfc0e42e0c8484ab47243531941bef6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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