Hydrochloric Acid → 2-[4-[2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide
반응식
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]2)[cH:10][n:11]1.[CH3:48][O:49][c:50]1[n:51][cH:52][cH:53][cH:54][c:55]1[NH2:56].[ClH:1]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[NH:56][c:55]3[c:50]([O:49][CH3:48])[n:51][cH:52][cH:53][cH:54]3)[CH2:39][CH2:40]2)[cH:10][n:11]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b791ba2159694b59a8bcfe5a54040af4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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