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:48].[C:44]([OH:45])(=[O:46])[CH3:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:57][C:58](=[O:59])[OH:60].[Cl:1][c:2]1[cH:3][c:4]([C:36]([NH:37][CH:38]([CH3:39])[CH:40]2[CH2:41][CH2:42]2)=[O:43])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([c:23]3[c:24]([N+:25]([O-:26])=[O:27])[c:28]([S:29]([O-:30])(=[O:31])=[O:32])[cH:33][cH:34][cH:35]3)=[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+:56].[OH-:55].[OH2:61]>>[Cl:1][c:2]1[cH:3][c:4]([C:36]([NH:37][CH:38]([CH3:39])[CH:40]2[CH2:41][CH2:42]2)=[O:43])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([Br:48])=[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
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-b4a8b2ea8a8e4f96a656bb653595813a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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