Ethyl Acetate → 4'-{[2-ethoxy-5-(4-isopropoxyphenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[Br:1][c:2]1[c:3]([CH3:27])[n:4][c:5]([O:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:41](=[O:42])([O-:43])[O-:44].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:28]([CH3:29])([CH3:30])[O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Cs+:45].[Cs+:46]>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][CH:28]([CH3:29])[CH3:30])[cH:37][cH:36]2)[c:3]([CH3:27])[n:4][c:5]([O:24][CH2:25][CH3:26])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-36d83279c0e74c73a76557bfe2478d2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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