Acetic Acid → Ethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dioxohept-6-enoate
Reaction equation
[CH2:8]([CH3:9])[O:10][C:11]([CH2:12][C:13]([CH2:14][C:15]([CH3:16])=[O:17])=[O:18])=[O:19].[CH3:42][C:43](=[O:44])[OH:45].[CH:20]1([c:23]2[n:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[c:31](-[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[c:32]2[CH:33]=[O:34])[CH2:21][CH2:22]1.[H-:1].[Na+:2].[O:3]1[CH2:4][CH2:5][CH2:6][CH2:7]1>>[CH2:8]([CH3:9])[O:10][C:11]([CH2:12][C:13]([CH2:14][C:15]([CH:16]=[CH:33][c:32]1[c:23]([CH:20]2[CH2:21][CH2:22]2)[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[c:31]1-[c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1)=[O:17])=[O:18])=[O:19]Participants
7
Sources & evidence
- ORD record
- ord-965af17183ce476597f0a48cabc36d03
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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