Ethanol → Ethyl (4-{3-[(4-fluorophenyl)sulphonyl]-4-hydroxybenzyl}-3,5-dimethylphenoxy)acetate
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:11][c:12]([CH2:13][c:14]2[c:15]([CH3:28])[cH:16][c:17]([O:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][c:26]2[CH3:27])[cH:29][cH:30]1.[CH3:41][CH2:42][OH:43]>>[OH:8][c:9]1[c:10]([S:31](=[O:32])(=[O:33])[c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:11][c:12]([CH2:13][c:14]2[c:15]([CH3:28])[cH:16][c:17]([O:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][c:26]2[CH3:27])[cH:29][cH:30]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d0766c244ba449eaaf6414979d355b6e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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