Dichloromethane → 2-nitro-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide
반응식
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:42][CH2:43][Cl:44].[N+:30](=[O:31])([O-:32])[c:33]1[c:34]([C:35](=[O:36])[Cl:37])[cH:38][cH:39][cH:40][cH:41]1.[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:35]([c:34]1[c:33]([N+:30](=[O:31])[O-:32])[cH:41][cH:40][cH:39][cH:38]1)=[O:36]참가 물질
5
출처 및 근거
- ORD 기록
- ord-33fe870bb61843f2abaa055be37b5314
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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