Hydrochloric Acid → 2-(2,4-Difluoroanilino)-4,5-difluorobenzoic acid

HRID 281687Notes

Reaction equation

HRID 281687 reaction equation
[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[ClH:42].[F:21][c:22]1[c:23]([NH2:24])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[F:30][c:31]1[c:32]([C:33](=[O:34])[OH:35])[cH:36][c:37]([F:41])[c:38]([F:40])[cH:39]1.[Li+:8].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[F:21][c:22]1[c:23]([NH:24][c:31]2[c:32]([C:33](=[O:34])[OH:35])[cH:36][c:37]([F:41])[c:38]([F:40])[cH:39]2)[cH:25][cH:26][c:27]([F:29])[cH:28]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 97092,4-DifluoroanilineHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 5211702,4,5-Trifluorobenzoic acidHCID 5062348DiisopropylamideHCID 178418339Butyllithium

Product 1

HCID 149974752-(2,4-Difluoroanilino)-4,5-difluorobenzoic acid

Sources & evidence

ORD record
ord-8e3d441549974ff880fad0b383231e54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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