Ethyl Acetate → 4'-{[5-[4-(2-{[tert-butyl(dimethyl)silyl]oxy}-1,1-dimethylethoxy)phenyl]-4-ethyl-6-oxo-2-propylpyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[Br:1][c:2]1[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][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:29]([CH3:30])([CH3:31])([CH3:32])[Si:33]([O:34][CH2:35][C:36]([O:37][c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)([CH3:47])[CH3:48])([CH3:49])[CH3:50].[C:51](=[O:52])([O-:53])[O-:54].[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cs+:55].[Cs+:56]>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([O:37][C:36]([CH2:35][O:34][Si:33]([C:29]([CH3:30])([CH3:31])[CH3:32])([CH3:49])[CH3:50])([CH3:47])[CH3:48])[cH:43][cH:42]2)[c:3]([CH2:27][CH3:28])[n:4][c:5]([CH2:24][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-d37d129089ad46b19c12822eb7d1c563
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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