Acetate → 4'-{[4-Cyclopropyl-1-(4-isopropoxyphenyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:68]([Cl:69])[Cl:70].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:1]1([c:4]2[n:5][c:6]([CH3:26])[nH:7][c:8](=[O:25])[c:9]2[CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3]1.[CH:27]([CH3:28])([CH3:29])[O:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[Cu+2:57].[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH:1]1([c:4]2[n:5][c:6]([CH3:26])[n:7](-[c:34]3[cH:33][cH:32][c:31]([O:30][CH:27]([CH3:28])[CH3:29])[cH:36][cH:35]3)[c:8](=[O:25])[c:9]2[CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([C:23]#[N:24])[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[CH2:2][CH2:3]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-5baf20e1ac4444da9f87567b4188fda2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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