2-(Ethylamino)ethanol → 2-(Ethyl-{4-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-but-3-ynyl}-amino)-ethanol
반응식
[CH2:25]([CH3:26])[NH:27][CH2:28][CH2:29][OH:30].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][CH2:21][OH:22])[cH:17]3)[cH:7][cH:8]1)([F:23])[F:24]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([C:18]#[C:19][CH2:20][CH2:21][N:27]([CH2:25][CH3:26])[CH2:28][CH2:29][OH:30])[cH:17]3)[cH:7][cH:8]1)([F:23])[F:24]참가 물질
3
출처 및 근거
- ORD 기록
- ord-e3afb95d096f4422acf542eb6aa8dc24
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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