2-Aminoindan-1-ol → methyl 2-[3-[2-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
반응식
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][c:12]2[c:13]([CH:22]=[O:23])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:8][cH:9][cH:10]1)=[O:24].[NH2:25][CH:26]1[CH:27]([OH:35])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[CH2:34]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][c:12]2[c:13]([CH2:22][NH:25][CH:26]3[CH:27]([OH:35])[c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[CH2:34]3)[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:8][cH:9][cH:10]1)=[O:24]참가 물질
3
출처 및 근거
- ORD 기록
- ord-ac307f935b7341118e40cfe7f8c2b0cd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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