Ethanol → 5-[{4-[(4-Butylphenyl)ethynyl]benzyl)(cyclohexylcarbonyl)amino]-2-hydroxybenzoic acid

HRID 938121Notes

Reaction equation

HRID 938121 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[cH:28][c:29]4[c:30]([cH:38][cH:39]3)[O:31][C:32]([CH3:36])([CH3:37])[O:33][C:34]4=[O:35])[cH:40][cH:41]2)[cH:9][cH:10]1.[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[cH:28][c:29]([C:34](=[O:33])[OH:35])[c:30]([OH:31])[cH:38][cH:39]3)[cH:40][cH:41]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 57841368N-{4-[(4-butylphenyl)ethynyl)benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)cyclohexanecarboxamide

Product 1

HCID 117525695-[{4-[(4-Butylphenyl)ethynyl]benzyl)(cyclohexylcarbonyl)amino]-2-hydroxybenzoic acid

Sources & evidence

ORD record
ord-103dc9a7df59498d8ad1efd48e8479ef
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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