Water → 1-[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]-2-ethylbutan-1-one
반응식
[CH2:7]([CH3:8])[CH:9]([C:10](=[O:11])[Cl:12])[CH2:13][CH3:14].[Cl:52][CH2:53][Cl:54].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[CH:28]2[CH2:29][CH2:30][CH2:31][NH:32][c:33]3[c:34]2[cH:35][c:36]2[c:40]([cH:41]3)[CH2:39][O:38][CH2:37]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[OH2:51].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH2:7]([CH3:8])[CH:9]([C:10](=[O:11])[N:32]1[CH2:31][CH2:30][CH2:29][CH:28]([N:21]([CH2:20][c:19]2[cH:18][c:17]([C:16]([F:15])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]2)[c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[c:34]2[c:33]1[cH:41][c:40]1[c:36]([cH:35]2)[CH2:37][O:38][CH2:39]1)[CH2:13][CH3:14]참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-504418b0660844f997de0febcae79f45
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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