Sodium ion → 7-Methoxy-8-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 2328031Notes

Reaction equation

HRID 2328031 reaction equation
[CH3:25][C:26]#[N:27].[F:1][C:2]([F:3])([F:4])[C:21]([N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([O:19][CH3:20])[c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[CH2:10][CH2:11]1)=[O:22].[Na+:24].[OH-:23]>>[NH:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([O:19][CH3:20])[c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 866338662,2,2-Trifluoro-1-(7-methoxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

Product 1

HCID 672643517-Methoxy-8-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-5292488669aa416e98de7854cd7ec729
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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