Cox/5-LO-IN-1 → 1-[4-[5-[(4-Chlorophenyl)methyl]thiophen-2-yl]but-3-en-2-yl]-1-hydroxyurea
반응식
[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:14]#[C:15][CH:16]([CH3:17])[N:18]([C:19](=[O:20])[NH2:21])[OH:22])[s:13]2)[cH:6][cH:7]1.[F:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][c:29]2[s:30][c:31]([C:32]#[C:33][CH:34]([N:35]([OH:36])[C:37]([NH2:38])=[O:39])[CH3:40])[cH:41][cH:42]2)[cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH:14]=[CH:15][CH:16]([CH3:17])[N:18]([C:19](=[O:20])[NH2:21])[OH:22])[s:13]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-209ca356ad464a059bf5c8247e4a9310
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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