Ethylene Glycol → 2-bromo-2-methyl-N-(4-trifluoromethyl-6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-propionamide
반응식
[Br:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][c:13]1[c:14]2[cH:15][n:16][n:17]1[C:18](=[O:19])[C:20]([Br:21])([CH3:22])[CH3:23])([CH3:28])[CH3:29].[CH2:35]([OH:36])[CH2:37][OH:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH2:52]>>[Br:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][c:13]1[c:14]2[cH:15][n:16][nH:17]1)([CH3:28])[CH3:29]참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-b995949d8ccc4a5cada4e521f3d9fab3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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