Ethanol → 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylic acid

HRID 689897

Reaction equation

HRID 689897 reaction equation
[CH2:24]([O:25][C:26]([c:27]1[cH:28][c:29]2[c:30]([cH:31][cH:32]1)[C:33](=[O:34])[O:35][CH2:36]2)=[O:37])[CH3:38].[CH3:39][CH2:40][OH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[O:9][CH2:10][c:11]3[cH:12][c:13]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:14][cH:15][c:16]32)[cH:6][cH:7]1.[Na+:23].[OH-:22]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[O:9][CH2:10][c:11]3[cH:12][c:13]([C:17](=[O:18])[OH:19])[cH:14][cH:15][c:16]32)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 90088Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylateHCID 21703105Ethyl 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylate

Product 1

HCID 155384031-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylic acid

Sources & evidence

ORD record
ord-fbd002fb69974c63a0067dd11e773ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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