Toluene → HCID 54187688, 화합물
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[CH3:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[Cl:15][C:16](=[CH2:17])[CH:18]=[CH2:19].[O:1]=[C:2]1[O:3][C:4](=[O:5])[CH:6]=[CH:7]1.[c:20]1([CH3:21])[c:22]([CH3:23])[cH:24][cH:25][cH:26][cH:27]1>>[O:1]=[C:2]1[O:3][C:4](=[O:5])[CH:6]2[CH:7]1[CH:19]=[CH:18][CH:16]([Cl:15])[CH2:17]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-f26a913999a144098854cad53bcda91b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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