Dimethylformamide → 3-bromo-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide
반응식
[Br:23][c:24]1[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1)[C:27]([c:26]1[cH:25][c:24]([Br:23])[cH:32][cH:31][cH:30]1)=[O:28]참가 물질
6
출처 및 근거
- ORD 기록
- ord-c6cbea02bced41bda457d3d89593563e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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