Benzene → HCID 178520069, 화합물
반응식
[C:20]([CH3:22])([CH3:23])([O:24][OH:21])[CH3:25].[c:1]1([C:7]#[C:8][C:9]#[C:10][C:11]#[C:12][CH:13]2[CH:14]([CH:16]=[CH:17][CH2:18][OH:19])[O:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[c:1]1([C:7]#[C:8][C:9]#[C:10][C:11]#[C:12][CH:13]2[CH:14]([CH:16]3[CH:17]([CH2:18][OH:19])[O:24]3)[O:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-0f5c26f7445642d0bb44648b1d81bc00
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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