Water → 2-Chloro-3,4-difluorobenzoic acid

HRID 88740

Reaction equation

HRID 88740 reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][N:6]([CH3:7])[CH3:8].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH:9]([Li:10])([CH2:11][CH3:12])[CH3:13].[Cl:25][C:26]([C:27]([Cl:28])([Cl:29])[Cl:30])([Cl:31])[Cl:32].[F:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]1[F:24].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:43]>>[F:14][c:15]1[c:16]([Cl:25])[c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]1[F:24]

Participants

8

Reactant 7

HCID 962WaterHCID 3283Diethyl EtherHCID 6214HexachloroethaneHCID 8028TetrahydrofuranHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 991663,4-Difluorobenzoic acidHCID 178418400CID 53628100

Product 1

HCID 100128172-Chloro-3,4-difluorobenzoic acid

Sources & evidence

ORD record
ord-3a3be95ba86448f1b589ccad40be4f59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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