Hydrochloric Acid → 2-(4-tert-butyl-phenyl)-8-nitro-3,4-dihydro-2H-isoquinolin-1-one

HRID 699520Notes

Reaction equation

HRID 699520 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:13][CH2:14][NH:15][c:16]2[cH:17][cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:20][cH:21]2)[cH:6][cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12])=[O:26].[ClH:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1>>[O:2]=[C:3]1[c:4]2[c:5]([cH:6][cH:7][cH:8][c:9]2[N+:10](=[O:11])[O-:12])[CH2:13][CH2:14][N:15]1[c:16]1[cH:17][cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:20][cH:21]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 691591522-[2-(4-Tert-butyl-phenylamino)-ethyl]-6-nitro-benzoic acid methyl ester

Product 1

HCID 691594242-(4-tert-butyl-phenyl)-8-nitro-3,4-dihydro-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-71ff3c02e9764c0d972442ff53d67083
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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