Ethanol → 4'-{[2-butyl-5-(2-hydroxy-3,3-dimethylbutyl)-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]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[c:8]([CH2:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[c:9]([CH3:11])[n:10]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:42][CH2:43][OH:44].[OH2:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[c:8]([CH2:12][CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[OH:18])[c:9]([CH3:11])[n:10]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-003199f1d082496e882ad02a0693f475
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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