Ethanol → 3-(3-Diethoxymethyl-4-methoxy-5-trifluoromethylbenzoyl)-2,3-dihydro-1,3-benzothiazole
반응식
[CH3:36][CH2:37][OH:38].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][S:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[c:19]1[O:20][CH3:21].[CH:26]([O:27][CH2:28][CH3:29])([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35]>>[c:3]1([CH:26]([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][S:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[c:19]1[O:20][CH3:21]참가 물질
4
출처 및 근거
- ORD 기록
- ord-7449da834953443299a2d95de9137513
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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