Potassium Cation → 1-{5-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-2-pyrazinyl}-2-pyrrolidinone

HRID 197598Notes

Reaction equation

HRID 197598 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[CH3:48][OH:49].[Cl:1][c:2]1[n:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]3[c:12]([cH:22][cH:23]2)[CH2:13][CH2:14][N:15]([CH:18]2[CH2:19][CH2:20][CH2:21]2)[CH2:16][CH2:17]3)[n:6][cH:7]1.[Cu:50][I:51].[K+:34].[K+:35].[NH:24]1[C:25](=[O:29])[CH2:26][CH2:27][CH2:28]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[c:2]1([N:24]2[C:25](=[O:29])[CH2:26][CH2:27][CH2:28]2)[n:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]3[c:12]([cH:22][cH:23]2)[CH2:13][CH2:14][N:15]([CH:18]2[CH2:19][CH2:20][CH2:21]2)[CH2:16][CH2:17]3)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 8070N,N'-DimethylethylenediamineHCID 120252-PyrrolidoneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104043427-[(5-Chloro-2-pyrazinyl)oxy]-3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Product 1

HCID 100910681-{5-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-2-pyrazinyl}-2-pyrrolidinone

Sources & evidence

ORD record
ord-3519de33996842268ad11e444fdab283
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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