3,5-Bis(trifluoromethyl)hydrocinnamic acid → N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-pentylphenyl)methyl]propanamide
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)=[O:36])[CH2:12][CH2:13]1.[F:37][C:38]([c:39]1[cH:40][c:41]([CH2:42][CH2:43][C:44](=[O:45])[OH:46])[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)[C:44]([CH2:43][CH2:42][c:41]2[cH:40][c:39]([C:38]([F:37])([F:54])[F:55])[cH:49][c:48]([C:50]([F:51])([F:52])[F:53])[cH:47]2)=[O:45])=[O:36])[CH2:12][CH2:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-9f0ab723fb834c529bd228bcf5415d57
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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