Sodium ion → 1-Isopropyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 180235

Reaction equation

HRID 180235 reaction equation
[CH:20]([CH3:21])([CH3:22])[I:23].[H-:16].[H:18][H:19].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:14][cH:15]1)[NH:8][C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2.[Na+:17].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[OH2:29]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:14][cH:15]1)[N:8]([CH:20]([CH3:21])[CH3:22])[C:9](=[O:13])[CH2:10][CH2:11][CH2:12]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6362Isopropyl iodideHCID 166653HydrideHCID 3561757-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-oneHCID 178418361HCID 178418361, compound

Product 1

HCID 672639191-Isopropyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-8213a2c066744f6a93feecb47cda9487
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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