Ethanol → 6-chloro-5-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Reaction equation

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:27][CH2:28][OH:29].[Cl:1][c:2]1[c:3]([O:21][CH2:22][CH3:23])[c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([C:12]([F:13])([F:14])[F:15])[C:6]([C:16](=[O:17])[O:18][CH2:19][CH3:20])=[CH:5]2.[Li+:26].[OH-:25].[OH2:24].[OH2:35]>>[Cl:1][c:2]1[c:3]([O:21][CH2:22][CH3:23])[c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH:7]([C:12]([F:13])([F:14])[F:15])[C:6]([C:16](=[O:17])[OH:18])=[CH:5]2

Participants

Reactant 6

HCID 702Ethanol

HCID 961Hydroxide

HCID 962Water2×

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 58934927ethyl 6-chloro-5-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Product 1

HCID 533232256-chloro-5-ethoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Sources & evidence

ORD record: ord-a19301d5616b4d8988379bd535244044
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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