Sodium ion → 2-Cyclopropylamino-4,5-difluorobenzoic acid

HRID 2146427Notes

Reaction equation

HRID 2146427 reaction equation
[CH3:25][N:26]([CH3:27])[C:28](=[O:29])[CH3:30].[CH:13]1([NH2:16])[CH2:14][CH2:15]1.[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([F:12])[c:9]([F:11])[cH:10]1.[Cu:31][I:32].[Na+:24].[OH-:23].[OH2:33].[cH:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1>>[c:2]1([NH:16][CH:13]2[CH2:14][CH2:15]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([F:12])[c:9]([F:11])[cH:10]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1049PyridineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 31374DimethylacetamideHCID 69828CyclopropylamineHCID 7371712-Chloro-4,5-difluorobenzoic acid

Product 1

HCID 149974732-Cyclopropylamino-4,5-difluorobenzoic acid

Sources & evidence

ORD record
ord-5f372852c1ae404f83d80ca9abd6d28a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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