Toluene → HCID 178485845, 화합물
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[CH3:22][N:23]=[C:24]=[O:25].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[NH2:1][C:2]1=[N:6][C:5](=[CH:7][CH2:8][C:9]([N:10]([CH:11]([CH3:12])[CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)=[O:21])[CH2:4][S:3]1>>[NH:1]([C:2]1=[N:6][C:5](=[CH:7][CH2:8][C:9]([N:10]([CH:11]([CH3:12])[CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)=[O:21])[CH2:4][S:3]1)[C:24]([NH:23][CH3:22])=[O:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-02cef603d5924ec19e57219f93f8fd44
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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