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

HRID 665823
Notes
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Reaction equation

HRID 665823 reaction equation
[Br:32][CH2:33][C:34](=[O:35])[c:36]1[c:37]([F:43])[cH:38][c:39]([F:42])[cH:40][cH:41]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[H-:49].[Na+:50].[O:1]=[c:2]1[nH:3][c:4](=[O:31])[c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[s:23][c:24]([CH2:26][C:27]([F:28])([F:29])[F:30])[cH:25]2>>[O:1]=[c:2]1[n:3]([CH2:33][C:34](=[O:35])[c:36]2[c:37]([F:43])[cH:38][c:39]([F:42])[cH:40][cH:41]2)[c:4](=[O:31])[c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[s:23][c:24]([CH2:26][C:27]([F:28])([F:29])[F:30])[cH:25]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 27741852-Bromo-2',4'-difluoroacetophenoneHCID 593517254'-{[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 593514994'-{[3-[2-(2,4-difluorophenyl)-2-oxoethyl]-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-ce4b7969cbc642de94ac4cb5ca07625f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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