Potassium Cation → 4'-{[3-(2-cyclohexyl-2-oxoethyl)-6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

HRID 96908

Reaction equation

HRID 96908 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[nH:9][c:10]2=[O:11])[s:28]1.[CH2:52]([Cl:53])[Cl:54].[CH3:44][N+:45]1([O-:46])[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:60][CH2:61][CH2:62][N+:63]([CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH:29]1([CH:35]2[O:36][CH2:37]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[K+:42].[K+:43].[O-:55][Ru:56](=[O:57])(=[O:58])=[O:59].[OH2:73]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:8](=[O:12])[n:9]([CH2:37][C:35]([CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)=[O:36])[c:10]2=[O:11])[s:28]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 9559TetrapropylammoniumHCID 19660Carbonate IonHCID 82029Methyl morpholine oxideHCID 942642-CyclohexyloxiraneHCID 593517704'-[(6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)methyl]biphenyl-2-carbonitrileHCID 178527104HCID 178527104, compound

Product 1

HCID 593516544'-{[3-(2-cyclohexyl-2-oxoethyl)-6-ethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-7040f305cb154f6295f5b8b7075dd22e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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