Ethyl Acetate → 4'-{[2-butyl-4-cyclopropyl-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[Br:1][c:2]1[c:3]([CH:28]2[CH2:29][CH2:30]2)[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[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:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:31][CH:32]1[O:33][c:34]2[c:35]([cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]2)[CH2:36]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cs+:48].[Cs+:49]>>[c:2]1(-[c:38]2[cH:37][c:35]3[c:34]([cH:40][cH:39]2)[O:33][CH:32]([CH3:31])[CH2:36]3)[c:3]([CH:28]2[CH2:29][CH2:30]2)[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[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-4ed270bba63b42c2a2c73de772fa63aa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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