Acetone → 4'-[(2-butyl-5-formyl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:7](=[O:14])[c:8]([CH:12]=[CH2:13])[c:9]([CH3:11])[n:10]1.[CH3:36][C:37](=[O:38])[CH3:39].[I+3:30]([O-:31])([O-:32])([O-:33])[O-:34].[Na+:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]3)[cH:20][cH:21]2)[c:7](=[O:14])[c:8]([CH:12]=[O:31])[c:9]([CH3:11])[n:10]1Participants
5
Sources & evidence
- ORD record
- ord-6630ae0fafea48938a2de63db60fab35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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