Methanol → 2-(3-{1-[(4-Isopropyl-phenoxy)-acetyl]-piperidin-3-yl}-phenoxy)-2-methyl-propionic acid
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([CH3:11])([CH3:12])[O:13][c:14]1[cH:15][c:16]([CH:20]2[CH2:21][N:22]([C:26]([CH2:27][O:28][c:29]3[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]3)=[O:38])[CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18][cH:19]1)=[O:39].[CH3:40][OH:41]>>[O:8]=[C:9]([C:10]([CH3:11])([CH3:12])[O:13][c:14]1[cH:15][c:16]([CH:20]2[CH2:21][N:22]([C:26]([CH2:27][O:28][c:29]3[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]3)=[O:38])[CH2:23][CH2:24][CH2:25]2)[cH:17][cH:18][cH:19]1)[OH:39]참가 물질
3
출처 및 근거
- ORD 기록
- ord-7e230367ba1e4f51bec865a408e3a030
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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