Ethanol → 6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

HRID 294467

Reaction equation

HRID 294467 reaction equation
[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][CH2:36][OH:37].[Cl:1][c:2]1[cH:3][c:4](-[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[c:5]2[c:6]([cH:20]1)[CH:7]=[C:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH:9]([C:11]([F:12])([F:13])[F:14])[O:10]2.[Na+:29].[OH-:28].[OH2:38]>>[Cl:1][c:2]1[cH:3][c:4](-[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[c:5]2[c:6]([cH:20]1)[CH:7]=[C:8]([C:15](=[O:16])[OH:17])[CH:9]([C:11]([F:12])([F:13])[F:14])[O:10]2

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 21883623ethyl 6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate

Product 1

HCID 218836046-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Sources & evidence

ORD record
ord-05198c4a45774f88882f737d856440e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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