Acetate → 4'-{[2-Ethyl-1-(3-fluoro-4-isopropoxyphenyl)-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH2:1]([CH3:2])[c:3]1[nH:4][c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:55][CH2:56][Cl:57].[Cu+2:68].[F:28][c:29]1[cH:30][c:31]([B:39]([OH:40])[OH:41])[cH:32][cH:33][c:34]1[O:35][CH:36]([CH3:37])[CH3:38].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:31]2[cH:30][c:29]([F:28])[c:34]([O:35][CH:36]([CH3:37])[CH3:38])[cH:33][cH:32]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-73b0d8862f0d4f1b8647db6552bac395
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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