Potassium Cation → Methyl 3-(2-(3,5-bis(trifluoromethyl)phenylamino)-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

HRID 1562157Notes

Reaction equation

HRID 1562157 reaction equation
[CH3:1][c:2]1[c:3]([C:12](=[O:13])[O:14][CH3:15])[s:4][c:5]2[n:6][cH:7][nH:8][c:9](=[O:11])[c:10]12.[CH3:41][C:42]#[N:43].[F:22][C:23]([c:24]1[cH:25][c:26]([NH:34][C:35]([CH2:36][Cl:37])=[O:38])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:39])[F:40].[K+:16].[K+:17].[O-:18][C:19]([O-:20])=[O:21]>>[CH3:1][c:2]1[c:3]([C:12](=[O:13])[O:14][CH3:15])[s:4][c:5]2[n:6][cH:7][n:8]([CH2:36][C:35]([NH:34][c:26]3[cH:25][c:24]([C:23]([F:22])([F:39])[F:40])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27]3)=[O:38])[c:9](=[O:11])[c:10]12

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 725279Methyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylateHCID 1800613N-[3,5-Bis(trifluoromethyl)phenyl]-2-chloroacetamide

Product 1

HCID 59842865Methyl 3-(2-(3,5-bis(trifluoromethyl)phenylamino)-2-oxoethyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Sources & evidence

ORD record
ord-9c71fe44521d4ca9affc99fbcfa99d65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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