Sodium ion → 4'-{[3-butyl-1-(2,2-dimethylpropyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}biphenyl-2-carbonitrile

HRID 303678

Reaktionsgleichung

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

Komponenten

Edukt 6

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 8857Ethyl Acetate

HCID 84953Propane, 1-iodo-2,2-dimethyl-

HCID 166653Hydride

HCID 149510524'-[(3-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)methyl]biphenyl-2-carbonitrile

Produkt 1

HCID 149568214'-{[3-butyl-1-(2,2-dimethylpropyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}biphenyl-2-carbonitrile

Quellen und Nachweise

ORD-Eintrag: ord-f5310d5278394ca2a17d2e0833ab679b
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Verknüpfte Notizen

Wird geladen…