Hydrochloric Acid → 2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(trifluoromethyl)aniline

Reaction equation

[C:28](=[O:29])([OH:30])[O-:31].[CH3:33][OH:34].[ClH:1].[N+:5]([O-:6])(=[O:7])[c:8]1[c:9]([N:18]2[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[CH2:26][CH2:27]2)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1.[Na+:32].[Sn:2]([Cl:3])[Cl:4]>>[NH2:5][c:8]1[c:9]([N:18]2[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[CH2:26][CH2:27]2)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 769Bicarbonate Ion

HCID 887Methanol

HCID 923Sodium Ion

HCID 24479Stannous Chloride

HCID 27970331,2,3,4-tetrahydro-2-[2-nitro-4-(trifluoromethyl)phenyl]isoquinoline

Product 1

HCID 167696462-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(trifluoromethyl)aniline

Sources & evidence

ORD record: ord-87e04524853646c48d8fe25ce4e82c7d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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