Toluene → 4'-[(6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]biphenyl-2-carbonitrile
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:34][CH3:35])[cH:36][cH:37][c:38]1[CH2:39][n:6]1[c:7](=[O:33])[n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:9]2[c:10]([c:11]1=[O:12])[cH:13][c:14]([CH2:16][CH3:17])[s:15]2.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[nH:6]1[c:7](=[O:33])[n:8]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:9]2[c:10]([c:11]1=[O:12])[cH:13][c:14]([CH2:16][CH3:17])[s:15]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-3aacb17702834bb089a689185ea57161
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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