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

HRID 297529Notes

Reaction equation

HRID 297529 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([c:12]2[cH:13][c:14]3[c:15]([cH:23][cH:24]2)[O:16][C:17]([CH3:21])([CH3:22])[O:18][C:19]3=[O:20])[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:32]#[C:33][c:34]3[cH:35][cH:36][c:37]([CH2:40][CH2:41][CH2:42][CH3:43])[cH:38][cH:39]3)[cH:30][cH:31]2)[cH:44][cH:45]1.[CH3:48][CH2:49][OH:50].[Na+:47].[OH-:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([c:12]2[cH:13][c:14]([C:19](=[O:18])[OH:20])[c:15]([OH:16])[cH:23][cH:24]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:32]#[C:33][c:34]3[cH:35][cH:36][c:37]([CH2:40][CH2:41][CH2:42][CH3:43])[cH:38][cH:39]3)[cH:30][cH:31]2)[cH:44][cH:45]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 578413254-tert-butyl-N-{4-[(4-butylphenyl)ethynyl]benzyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)benzamide

Product 1

HCID 160406405-((4-tert-Butylbenzoyl){4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-hydroxybenzoic acid

Sources & evidence

ORD record
ord-d606ee2e24fb49d19f659a8363b3353d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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