Toluene → HCID 21256443, 화합물
반응식
[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6]3[c:7]([s:8]2)[n:9][cH:10][c:11]3[CH2:12][OH:13])[cH:14][cH:15]1.[O:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[O:29]=[Mn:30]=[O:31]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([n:6]3[c:7]([s:8]2)[n:9][cH:10][c:11]3[CH:12]=[O:13])[cH:14][cH:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-6f0bb34eb53f4cf099478e87f23c330e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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