Hydrochloric Acid → Methyl 5-bromo-2-methyl-3-[(oxan-4-yl)(2,2,2-trifluoroethyl)amino]benzoate

HRID 2344634Notes

Reaction equation

HRID 2344634 reaction equation
[BH4-:27].[Br:1][c:2]1[cH:3][c:4]([NH:13][CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]([CH3:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[ClH:31].[F:20][C:21]([C:22]([OH:23])=[O:24])([F:25])[F:26].[Na+:28].[Na+:30].[OH-:29]>>[Br:1][c:2]1[cH:3][c:4]([N:13]([CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[CH2:22][C:21]([F:20])([F:25])[F:26])[c:5]([CH3:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6422Trifluoroacetic acidHCID 28123BorohydrideHCID 70872676methyl 5-bromo-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoate

Product 1

HCID 70872517Methyl 5-bromo-2-methyl-3-[(oxan-4-yl)(2,2,2-trifluoroethyl)amino]benzoate

Sources & evidence

ORD record
ord-9694279b090e4c99810c88dad5c3c9f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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