Potassium Cation → 3-[4-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-oxo-pyrrolidin-1-yl]benzonitrile

HRID 1152854

Reaction equation

HRID 1152854 reaction equation
[Br:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[NH:18][CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:38]1([NH2:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH:44]1[NH2:45].[Cu:52][I:53].[K+:35].[K+:36].[K+:37].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P:30]([O-:31])([O-:32])([O-:33])=[O:34]>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[N:18]([c:22]4[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]4)[CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 5092RolipramHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 233813-BromobenzonitrileHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-Dioxane

Product 1

HCID 104746693-[4-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-oxo-pyrrolidin-1-yl]benzonitrile

Sources & evidence

ORD record
ord-71d9805764624d3b9a2800b3016344b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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