Benzene → 6-Hydroxy-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline
반응식
[Al+3:19].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[N:9]([C:13]([CH2:14][CH3:15])=[O:16])[CH2:8][CH2:7][C:6]2=[O:17].[Cl-:18].[Cl-:20].[Cl-:21].[ClH:22].[cH:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[OH:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[N:9]([C:13]([CH2:14][CH3:15])=[O:16])[CH2:8][CH2:7][C:6]2=[O:17]참가 물질
6
출처 및 근거
- ORD 기록
- ord-5da3810b4ea34668a54148e628173c48
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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