O-Xylene → 2-Methyldibenz[b,e]oxepin-11(6H)-one
반응식
[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH2:9][c:10]2[c:11]([C:16](=[O:17])[OH:18])[cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[c:19]1([CH3:20])[c:21]([CH3:22])[cH:23][cH:24][cH:25][cH:26]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)[C:16](=[O:18])[c:11]1[c:10]([cH:15][cH:14][cH:13][cH:12]1)[CH2:9][O:8]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-e59ff9c6ea2d4c0a89547490ed9eafb2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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