Sodium ion → 5-[{4-[(4-Chlorophenyl)ethynyl]benzyl}(4-heptylbenzoyl)amino]-2-hydroxybenzoic acid

HRID 302257Notes

Reaction equation

HRID 302257 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]([C:16]([c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:21][cH:22]3)=[O:30])[c:31]3[cH:32][c:33]4[c:34]([cH:42][cH:43]3)[O:35][C:36]([CH3:40])([CH3:41])[O:37][C:38]4=[O:39])[cH:44][cH:45]2)[cH:6][cH:7]1.[Na+:47].[OH-:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][N:15]([C:16]([c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:21][cH:22]3)=[O:30])[c:31]3[cH:32][c:33]([C:38](=[O:37])[OH:39])[c:34]([OH:35])[cH:42][cH:43]3)[cH:44][cH:45]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 57841350N-{4-[(4-chlorophenyl)ethynyl]benzyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)-4-heptylbenzamide

Product 1

HCID 114673245-[{4-[(4-Chlorophenyl)ethynyl]benzyl}(4-heptylbenzoyl)amino]-2-hydroxybenzoic acid

Sources & evidence

ORD record
ord-fe5df2c0ff32484ebf3ea6b729390a5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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