Toluene → 4'-{[2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 951980Notes

Reaction equation

HRID 951980 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:37][CH3:38])[cH:39][cH:40][c:41]1[CH2:42][n:6]1[c:7](=[O:36])[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]2[c:10]([c:11]1=[O:12])[cH:13][c:14]([CH2:16][C:17]([F:18])([F:19])[F:20])[s:15]2.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[nH:6]1[c:7](=[O:36])[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]2[c:10]([c:11]1=[O:12])[cH:13][c:14]([CH2:16][C:17]([F:18])([F:19])[F:20])[s:15]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 593515844'-{[3-(2,4-dimethoxybenzyl)-2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 593517254'-{[2,4-dioxo-6-(2,2,2-trifluoroethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-4a8f29876b1d4f39a1dbff1a14224d07
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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