Ammonium → 2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrile

HRID 679953

Reaktionsgleichung

Reaktionsgleichung von HRID 679953
[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]([C:8]([C:9]#[N:10])([CH3:11])[CH3:12])[cH:6][cH:7]1.[CH:14]1([C:19]([CH2:20][C:21]2=[CH:22][C:23](=[O:29])[O:24][C:25]([CH3:27])([CH3:28])[O:26]2)([C:30]#[CH:31])[OH:32])[CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl-:45].[Cu:88][I:89].[NH4+:46].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd:47]([Cl:48])[Cl:49].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[c:2]1([C:31]#[C:30][C:19]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)([CH2:20][C:21]2=[CH:22][C:23](=[O:29])[O:24][C:25]([CH3:27])([CH3:28])[O:26]2)[OH:32])[cH:3][c:4]([F:13])[c:5]([C:8]([C:9]#[N:10])([CH3:11])[CH3:12])[cH:6][cH:7]1

Komponenten

10

Edukt 9

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 224998026-(2-Cyclopentyl-2-hydroxy-but-3-ynyl)-2,2-dimethyl-[1,3]dioxin-4-oneHCID 534036182-(4-Bromo-2-fluorophenyl)-2-methylpropanenitrile

Produkt 1

HCID 587626542-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrile

Quellen und Nachweise

ORD-Eintrag
ord-2667f964130946cda7757abe4f05c1bb
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Verknüpfte Notizen

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