Potassium Cation → methyl 2-[1-[(2'-cyanobiphenyl-4-yl)methyl]-6-ethyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]propanoate

HRID 101850Notes

Reaction equation

HRID 101850 reaction equation
[Br:20][CH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1.[C:36](=[O:37])([O-:38])[O-:39].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([nH:7][c:8](=[O:18])[n:9]([CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH3:17])[c:10]2=[O:11])[s:19]1.[CH3:42][C:43]#[N:44].[K+:40].[K+:41]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7]([CH2:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[c:29]([C:34]#[N:35])[cH:30][cH:31][cH:32][cH:33]4)[cH:26][cH:27]3)[c:8](=[O:18])[n:9]([CH:12]([C:13](=[O:14])[O:15][CH3:16])[CH3:17])[c:10]2=[O:11])[s:19]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 15019124'-(Bromomethyl)-2-cyanobiphenylHCID 59351712methyl 2-(6-ethyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)propanoate

Product 1

HCID 59351649methyl 2-[1-[(2'-cyanobiphenyl-4-yl)methyl]-6-ethyl-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl]propanoate

Sources & evidence

ORD record
ord-666b1fe3ddec4970804792d13dede5a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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