Benzene → Hydrochloric Acid

HRID 1537002Notes

Reaction equation

HRID 1537002 reaction equation
[CH3:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2.[Cl:17][C:18](=[O:19])[O:20][CH2:21][CH3:22].[Na+:25].[OH-:24].[OH2:23].[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[CH2:12][CH2:13][N:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:15][CH2:16]2.[ClH:17]

Participants

8

Reactant 6

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 10928Ethyl chloroformateHCID 304399911-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinoline

Product 2

HCID 313Hydrochloric AcidHCID 30440083H-Azepino(4,5-b)quinoline-3-carboxylic acid, 1,2,4,5-tetrahydro-11-methyl-, ethyl ester

Sources & evidence

ORD record
ord-9c90b93cacd240b08818931580557b69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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