Ethyl 3-(1-benzothiophen-5-yl)-3-{7-[(methylsulfanyl)methyl]-1H-indol-3-yl}propanoate → 3-(1-Benzothiophen-5-yl)-3-{7-[(methylsulfanyl)methyl]-1H-indol-3-yl}propan-1-ol
반응식
[Cl:29][c:30]1[cH:31][cH:32][c:33]([CH:34]([c:35]2[c:36]3[c:37]([c:38]([CH2:39][S:40][CH3:41])[c:42]([F:43])[cH:44][cH:45]3)[nH:46][cH:47]2)[CH2:48][CH2:49][OH:50])[cH:51][cH:52]1.[s:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:17]1[cH:18][nH:19][c:20]3[c:21]([CH2:26][S:27][CH3:28])[cH:22][cH:23][cH:24][c:25]13)[cH:9]2>>[s:1]1[cH:2][cH:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([CH2:11][CH2:12][OH:13])[c:17]1[cH:18][nH:19][c:20]3[c:21]([CH2:26][S:27][CH3:28])[cH:22][cH:23][cH:24][c:25]13)[cH:9]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-b5963d8291364af1972439bc4b98a00f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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