Potassium Cation → Ethyl 1-(1-ethoxyethyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-1H-thieno[2,3-c]pyrazole-5-carboxylate

HRID 102634Notes

Reaction equation

HRID 102634 reaction equation
[Br:1][c:2]1[c:3]2[c:4]([n:5]([CH:7]([CH3:8])[O:9][CH2:10][CH3:11])[n:6]1)[s:12][c:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:14]2.[CH3:20][N:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35]2)[CH2:25][CH2:26]1.[CH3:44][NH:45][CH2:46][CH2:47][NH:48][CH3:49].[Cu:50][I:51].[K+:41].[K+:42].[K+:43].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[P:36]([O-:37])([O-:38])([O-:39])=[O:40]>>[c:2]1([NH:33][C:31]([c:30]2[cH:29][cH:28][c:27]([N:24]3[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]3)[cH:35][cH:34]2)=[O:32])[c:3]2[c:4]([n:5]([CH:7]([CH3:8])[O:9][CH2:10][CH3:11])[n:6]1)[s:12][c:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:14]2

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 223215944-(4-Methylpiperazin-1-yl)benzamideHCID 57487832ethyl 3-bromo-1-(1-ethoxyethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylate

Product 1

HCID 57848799Ethyl 1-(1-ethoxyethyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-1H-thieno[2,3-c]pyrazole-5-carboxylate

Sources & evidence

ORD record
ord-28fbbb89575044f9943336cc1d799716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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