Sodium ion → 6-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

Reaktionsgleichung

[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[H-:32].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:31]1)[CH:9]([n:24]1[c:25](=[O:30])[cH:26][cH:27][cH:28][cH:29]1)[C:10]([CH2:15][NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])([OH:23])[C:11]([CH3:13])([CH3:14])[O:12]2.[Na+:33].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:34]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:31]1)[C:9]([n:24]1[c:25](=[O:30])[cH:26][cH:27][cH:28][cH:29]1)=[C:10]([CH2:15][NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[C:11]([CH3:13])([CH3:14])[O:12]2

Komponenten

Edukt 6

HCID 923Sodium ion

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 8857Ethyl Acetate

HCID 166653Hydride

HCID 193871146-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-3,4-dihydro-3-hydroxy-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

Produkt 1

HCID 193871336-nitro-2,2-dimethyl-3-(trifluoroacetamido)methyl-4-(2-oxo-1,2-dihydropyridin-1-yl)-2H-1-benzopyran

Quellen und Nachweise

ORD-Eintrag: ord-8443c97a2ceb4ac2a2ea3d5441b97e08
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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