Hydrochloric Acid → 6-chloro-2,2-bis(fluoromethyl)-2H-1-benzopyran-4-carboxylic acid

Reaction equation

[CH2:23]([OH:24])[CH3:25].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([C:15](=[O:16])[O:17][CH2:18][CH3:19])=[CH:8][C:9]([CH2:11][F:12])([CH2:13][F:14])[O:10]2.[ClH:26].[K+:22].[OH-:21].[OH2:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:20]1)[C:7]([C:15](=[O:16])[OH:17])=[CH:8][C:9]([CH2:11][F:12])([CH2:13][F:14])[O:10]2

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 813Potassium Cation

HCID 961Hydroxide

HCID 962Water

HCID 19037051ethyl 6-chloro-2,2-bis(fluoromethyl)-2H-1-benzopyran-4-carboxylate

Product 1

HCID 190370756-chloro-2,2-bis(fluoromethyl)-2H-1-benzopyran-4-carboxylic acid

Sources & evidence

ORD record: ord-eebc538858bb4e978855e96a6e462a92
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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