Ethanol → DR 3438

HRID 93118Notes

Reaction equation

HRID 93118 reaction equation
[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[cH:3][c:4]([O:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2.[Na+:28].[OH-:27]>>[Cl:1][c:2]1[cH:3][c:4]([O:20][CH2:21][C:22](=[O:23])[OH:24])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 14254503ethyl {[5-chloro-3-(2-methylphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate

Product 1

HCID 196673DR 3438

Sources & evidence

ORD record
ord-91aad1f9fee34b07a2be3b23fa3fe139
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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