Potassium Cation → N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

HRID 677640

Reaction equation

HRID 677640 reaction equation
[Al+3:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:17][C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[c:29]2=[O:30])[cH:7][c:8]2[c:9]([cH:16]1)[C:10]([CH3:14])([CH3:15])[C:11](=[O:13])[O:12]2.[C:53]([O:54][CH3:55])([CH3:56])([CH3:57])[CH3:58].[H-:31].[H-:34].[H-:35].[H-:36].[K+:52].[Li+:33].[Na+:51].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH:41][CH:42]([CH:43]([OH:44])[C:45]([O-:46])=[O:47])[C:48]([O-:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:17][C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[c:29]2=[O:30])[cH:7][c:8]([OH:12])[c:9]([C:10]([CH2:11][OH:13])([CH3:14])[CH3:15])[cH:16]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 923Sodium ionHCID 962Water4×HCID 15413tert-Butyl methyl etherHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 38061142,3-DihydroxybutanedioateHCID 59544159N-(5-(tert-Butyl)-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Product 1

HCID 46897962N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Sources & evidence

ORD record
ord-b4ffc75fc0ce4badae0a906074cf8494
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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