2-[Ethyl-(1-methyl-prop-2-ynyl)-amino]-ethanol → 2-(Ethyl-{1-methyl-3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-prop-2-ynyl}-amino)-ethanol
반응식
[CH2:28]([CH3:29])[N:30]([CH2:31][CH2:32][OH:33])[CH:34]([C:35]#[CH:36])[CH3:37].[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]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]>>[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:36]#[C:35][CH:34]([N:30]([CH2:28][CH3:29])[CH2:31][CH2:32][OH:33])[CH3:37])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]참가 물질
3
출처 및 근거
- ORD 기록
- ord-d94218831724404bbb1ff8862c86feed
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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