3,4-Dimethylphenol → 3-{3-[3-(3,4-Dimethyl-phenoxy)-propoxy]-phenyl}-2-methoxy-propionic acid
반응식
[CH3:1][O:2][CH:3]([C:4](=[O:5])[OH:6])[CH2:7][c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:11][cH:12][cH:13]1.[CH3:25][c:26]1[cH:27][cH:28][c:29]([OH:30])[cH:31][c:32]1[CH3:33].[CH3:34][O:35][CH:36]([CH2:37][c:38]1[cH:39][cH:40][c:41]([O:42][CH2:43][CH2:44][CH2:45][O:46][c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54]1)[C:55]([OH:56])=[O:57]>>[CH3:1][O:2][CH:3]([C:4](=[O:5])[OH:6])[CH2:7][c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][O:30][c:29]2[cH:28][cH:27][c:26]([CH3:25])[c:32]([CH3:33])[cH:31]2)[cH:11][cH:12][cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b57a1319e9fc4ea398a855e142227294
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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