Ethanol → 3-[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]propanoic acid
반응식
[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH3:28])[N:8]([C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[c:29]1[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]1.[CH3:36][CH2:37][OH:38].[Cl:39][CH2:40][Cl:41]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[CH2:6][CH:7]([CH3:28])[N:8]([C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[c:29]1[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-539753a591a149ca9f028b31d5bc9067
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)