Ethanol → 5-((Biphenyl-4-ylcarbonyl){4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-hydroxybenzoic acid

HRID 187375Notes

Reaction equation

HRID 187375 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])[c:21]3[cH:22][cH:23][c:24](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:25][cH:26]3)[c:33]3[cH:34][c:35]4[c:36]([cH:44][cH:45]3)[O:37][C:38]([CH3:42])([CH3:43])[O:39][C:40]4=[O:41])[cH:46][cH:47]2)[cH:9][cH:10]1.[CH3:50][CH2:51][OH:52].[Na+:49].[OH-:48]>>[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])[c:21]3[cH:22][cH:23][c:24](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[cH:25][cH:26]3)[c:33]3[cH:34][c:35]([C:40](=[O:39])[OH:41])[c:36]([OH:37])[cH:44][cH:45]3)[cH:46][cH:47]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 57841342N-{4-[(4-butylphenyl)ethynyl]benzyl}-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)biphenyl-4-carboxamide

Product 1

HCID 113191795-((Biphenyl-4-ylcarbonyl){4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-hydroxybenzoic acid

Sources & evidence

ORD record
ord-102cf86c0c684c7f9324d6b4fb233c2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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