Potassium Cation → n,n-Dimethyl-2-(7-nitro-1,2,4,5-tetrahydro-3h-3-benzazepin-3-yl)acetamide

HRID 1117964Notes

Reaction equation

HRID 1117964 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[Cl:43][CH2:44][C:45]([N:46]([CH3:47])[CH3:48])=[O:49].[I-:51].[K+:41].[K+:42].[N+:19](=[O:20])([OH:21])[O-:22].[N+:23]([c:24]1[cH:25][cH:26][c:27]2[c:33]([cH:34]1)[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)([O-:35])=[O:36].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2.[Na+:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[c:2]1([N+:19](=[O:20])[O-:22])[cH:3][c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 944Nitric AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 758862-chloro-N,N-dimethylacetamideHCID 113100427-Nitro-2,3,4,5-tetrahydro-1H-benzo[D]azepineHCID 574161402-(7-Amino-1,2,4,5-tetrahydro-3h-3-benzazepin-3-yl)-n,n-dimethylacetamide

Product 1

HCID 57416161n,n-Dimethyl-2-(7-nitro-1,2,4,5-tetrahydro-3h-3-benzazepin-3-yl)acetamide

Sources & evidence

ORD record
ord-a53afaa6a98240dda43e58685a5aed3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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