Potassium Cation → 2-(6-(4-(3-chlorophenyl)piperazine-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3 (4H)-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

HRID 1222226Notes

Reaction equation

HRID 1222226 reaction equation
[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([CH3:26])[c:18]4[c:19]([n:20][cH:21][nH:22][c:23]4=[O:24])[s:25]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[Cl:33][CH2:34][C:35](=[O:36])[N:37]([CH2:38][C:39]([F:40])([F:41])[F:42])[CH2:43][CH3:44].[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32]>>[Cl:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]3[c:17]([CH3:26])[c:18]4[c:19]([n:20][cH:21][n:22]([CH2:34][C:35](=[O:36])[N:37]([CH2:38][C:39]([F:40])([F:41])[F:42])[CH2:43][CH3:44])[c:23]4=[O:24])[s:25]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 41967806-{[4-(3-Chlorophenyl)piperazino]carbonyl}-5-methylthieno[2,3-D]pyrimidin-4(3H)-oneHCID 598428332-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

Product 1

HCID 598428602-(6-(4-(3-chlorophenyl)piperazine-1-carbonyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-3 (4H)-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

Sources & evidence

ORD record
ord-ae709305caeb4882bdfc61ae033978aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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