O-Xylene → 4,5-Dihydro-2-[(4-methoxy-3-nitrophenyl)methyl]-4,4-dimethyloxazole
반응식
[CH3:7][O:8][c:9]1[c:10]([N+:19](=[O:20])[O-:21])[cH:11][c:12]([CH2:15][C:16]([OH:17])=[O:18])[cH:13][cH:14]1.[NH2:1][C:2]([CH2:3][OH:4])([CH3:5])[CH3:6].[c:22]1([CH3:23])[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]1>>[N:1]1=[C:16]([CH2:15][c:12]2[cH:11][c:10]([N+:19](=[O:20])[O-:21])[c:9]([O:8][CH3:7])[cH:14][cH:13]2)[O:4][CH2:3][C:2]1([CH3:5])[CH3:6]참가 물질
4
출처 및 근거
- ORD 기록
- ord-816a071f7294481393f9f2c037ddfbf4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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