Ammonia → 4-Fluoroanthranilic acid

HRID 2123740Notes

Reaction equation

HRID 2123740 reaction equation
[Br:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1.[C:13]([O-:14])(=[O:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[ClH:43].[Cu:44].[NH3:1].[NH4+:22].[OH:23][C:24]([CH2:25][N:27]([CH2:26][C:28](=[O:29])[OH:30])[CH2:31][CH2:32][N:33]([CH2:34][C:35](=[O:36])[OH:37])[CH2:38][C:39](=[O:40])[OH:41])=[O:42]>>[c:3]1([NH2:27])[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([F:12])[cH:11]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 223AmmoniumHCID 242BenzoateHCID 313Hydrochloric AcidHCID 6049Ethylenediaminetetraacetic AcidHCID 8857Ethyl AcetateHCID 23978CopperHCID 12681692-Bromo-4-fluorobenzoic acid

Product 1

HCID 27249674-Fluoroanthranilic acid

Sources & evidence

ORD record
ord-51cf422db2d6408d93713fe67e2c2902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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