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

HRID 145988Notes

Reaction equation

HRID 145988 reaction equation
[Br:26][CH2:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]2)[cH:32][cH:33]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][C:49]#[N:50].[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([nH:8][c:9](=[O:24])[n:10]([CH2:13][c:14]4[c:15]([O:22][CH3:23])[cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]4)[c:11]3=[O:12])[s:25]2)[CH2:2][CH2:3]1.[K+:46].[K+:47]>>[CH:1]1([c:4]2[cH:5][c:6]3[c:7]([n:8]([CH2:27][c:28]4[cH:29][cH:30][c:31](-[c:34]5[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]5)[cH:32][cH:33]4)[c:9](=[O:24])[n:10]([CH2:13][c:14]4[c:15]([O:22][CH3:23])[cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]4)[c:11]3=[O:12])[s:25]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 15019124'-(Bromomethyl)-2-cyanobiphenylHCID 593517456-cyclopropyl-3-(2,4-dimethoxybenzyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Product 1

HCID 593516924'-{[6-cyclopropyl-3-(2,4-dimethoxybenzyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-e80c8b81b3fe4d7495b8657f661e49e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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