Ethanol → 11-Hydroxy-11-methyl-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic Acid
반응식
[CH3:24][CH2:25][OH:26].[Na+:23].[OH-:22].[OH:1][C:2]1([CH3:21])[c:3]2[c:4]([cH:13][cH:14][c:15]([C:17](=[O:18])[O:19][CH3:20])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2>>[OH:1][C:2]1([CH3:21])[c:3]2[c:4]([cH:13][cH:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-e882c4a730374354bf59ba3e1262004e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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