Acetic Acid → 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide
반응식
[BrH:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:51][C:52](=[O:53])[OH:54].[Cl:1][c:2]1[cH:3][c:4]([C:34]([NH:35][CH:36]([CH3:37])[CH:38]2[CH2:39][CH2:40]2)=[O:41])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([c:23]3[cH:24][c:25]([CH3:26])[cH:27][cH:28][c:29]3[S:30]([O-:31])(=[O:32])=[O:33])=[N:14][N:15]2[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:6][cH:7]1.[Na+:50].[OH-:49].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4]([C:34]([NH:35][CH:36]([CH3:37])[CH:38]2[CH2:39][CH2:40]2)=[O:41])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([Br:42])=[N:14][N:15]2[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:6][cH:7]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-08a6591e2cb043a9876882aefb2325a4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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