Acetic Acid → 6-Acetyl-2H-1,4-benzoxazin-3(4H)-one
반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([N+:17]([O-:18])=[O:19])[c:7]([O:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:15][cH:16]1.[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:31]([cH:32]1)[NH:30][C:28](=[O:29])[CH2:27][O:26]2.[CH3:33][C:34](=[O:35])[OH:36].[Fe:37]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:15][cH:16]1)[O:8][CH2:9][C:10](=[O:11])[NH:17]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-881ee3959a2b43e7b819a5e5f330e04e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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