Benzene → HCID 178482324, 화합물
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[CH3:34][NH2:35].[Cl-:36].[Cl-:37].[Cl-:38].[Cl-:39].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[O:22])[NH:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH2:41].[Ti+4:40].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11]([NH:35][CH3:34])=[N:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-c10a5267980f4a519659b744e0644bbe
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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