Toluene → HCID 21201246, 화합물
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[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:14][C:15](=[O:16])[O:17][C:18]([Cl:19])([Cl:20])[Cl:21].[Cl:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][O:13]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1>>[Cl:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][O:13]2)[cH:4][c:5]([N:6]=[C:15]=[O:16])[cH:7][cH:8]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-29d3bc6708ba474aa8143fadfa1a6f66
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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