Monobenzone → 3-{4-[3-(4-Benzyloxy-phenoxy)-propoxy]-3-methoxy-phenyl}-2-methoxy-propionic acid
반응식
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:19][CH3:20])[cH:8][c:9]([CH2:12][CH:13]([C:14](=[O:15])[OH:16])[O:17][CH3:18])[cH:10][cH:11]1.[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]1>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[c:7]([O:19][CH3:20])[cH:8][c:9]([CH2:12][CH:13]([C:14](=[O:15])[OH:16])[O:17][CH3:18])[cH:10][cH:11]1)[O:35][c:32]1[cH:31][cH:30][c:29]([O:28][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:34][cH:33]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-6f64359cd1b74f048d25f39f49f3b7e0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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