Potassium Cation → 7-[4-(4-Fluorobenzoyl)benzyl]-1,3-dimethylxanthine
Reaction equation
[C:14](=[O:15])([O-:16])[O-:17].[CH3:1][n:2]1[c:3]2[n:4][cH:5][nH:6][c:7]2[c:8](=[O:9])[n:10]([CH3:11])[c:12]1=[O:13].[F:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[c:27]2[cH:28][cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34]2)[cH:35][cH:36]1.[K+:18].[K+:19].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:42]>>[CH3:1][n:2]1[c:3]2[n:4][cH:5][n:6]([CH2:31][c:30]3[cH:29][cH:28][c:27]([C:25]([c:24]4[cH:23][cH:22][c:21]([F:20])[cH:36][cH:35]4)=[O:26])[cH:34][cH:33]3)[c:7]2[c:8](=[O:9])[n:10]([CH3:11])[c:12]1=[O:13]Participants
7
Sources & evidence
- ORD record
- ord-cffa97bdd57c4433bb049dc1b0b2df8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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