Toluene → HCID 12816738, 화합물
반응식
[CH3:1][C:2]([CH3:3])([C:4]([CH:5]=[CH:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])=[O:13])[CH3:14].[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[nH:15]1[n:16][cH:17][n:18][cH:19]1>>[CH3:1][C:2]([CH3:3])([C:4]([CH:5]([CH2:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[n:15]1[n:16][cH:17][n:18][cH:19]1)=[O:13])[CH3:14]참가 물질
4
출처 및 근거
- ORD 기록
- ord-c0c634f4652e4ef591d1fa51193289e8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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