Acetone → 4-(4-Chloro-2-fluoro-5-hydroxy-phenylamino)-6,7,8-trimethoxy-quinoline-3-carbonitrile
Reaction equation
[C:20](=[O:21])([O-:22])[O:23][CH3:24].[CH2:35]([O:36][CH:37]([OH:38])[CH3:39])[CH3:40].[CH3:49][OH:50].[CH3:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[c:7]([O:16][CH3:17])[c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cl:25][c:26]1[cH:27][c:28]([F:34])[c:29]([NH2:30])[cH:31][c:32]1[OH:33].[NH4+:47].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH-:48].[OH2:55]>>[c:2]1([NH:30][c:29]2[c:28]([F:34])[cH:27][c:26]([Cl:25])[c:32]([OH:33])[cH:31]2)[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[c:7]([O:16][CH3:17])[c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-52fee986d71d4a01b37bbd8237e787dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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