(2-Methoxyethyl)(methyl)amine → (2-Methoxy-ethyl)-methyl-{5-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-pent-4-ynyl}-amine
반응식
[CH3:30][O:31][CH2:32][CH2:33][NH:34][CH3:35].[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][CH2:22][O:23][S:24]([CH3:25])(=[O:26])=[O:27])[cH:17]3)[cH:7][cH:8]1)([F:28])[F:29]>>[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][CH2:22][N:34]([CH2:33][CH2:32][O:31][CH3:30])[CH3:35])[cH:17]3)[cH:7][cH:8]1)([F:28])[F:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-b790a8880d8c47d2a6401fe0dbbf2ad6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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