p-(4-(Trifluoromethyl)phenoxy)phenol → 2-Methoxy-3-(3-methoxy-4-{3-[4-(4-trifluoromethyl-phenoxy)-phenoxy]-propoxy}-phenyl)-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.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([O:27][c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[cH:35][cH:36]1)([F:37])[F:38]>>[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:34][c:31]1[cH:30][cH:29][c:28]([O:27][c:26]2[cH:25][cH:24][c:23]([C:22]([F:21])([F:37])[F:38])[cH:36][cH:35]2)[cH:33][cH:32]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a577edd65da74660886d8cb273c98a82
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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