Trifluoroacetic acid → 7-chloro-3-(3,5-dimethylphenyl)-1-methyl-6-nitro-4-(2-piperidin-2-yl-ethoxy)-1H-quinolin-2-one
반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:33]3[cH:34][c:35]([CH3:40])[cH:36][c:37]([CH3:39])[cH:38]3)[c:19](=[O:32])[n:20]([CH3:31])[c:21]3[cH:22][c:23]([Cl:30])[c:24]([N+:27](=[O:28])[O-:29])[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:48][O:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[NH:8]1[CH:9]([CH2:14][CH2:15][O:16][c:17]2[c:18](-[c:33]3[cH:34][c:35]([CH3:40])[cH:36][c:37]([CH3:39])[cH:38]3)[c:19](=[O:32])[n:20]([CH3:31])[c:21]3[cH:22][c:23]([Cl:30])[c:24]([N+:27](=[O:28])[O-:29])[cH:25][c:26]23)[CH2:10][CH2:11][CH2:12][CH2:13]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-b33d93af508643df8a817f55a499765a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)