Acetate → 4-[2-(5-Chloro-2-fluoro-phenyl)-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidin-4-ylamino]-nicotinic acid methyl ester

HRID 209120

Reaktionsgleichung

Reaktionsgleichung von HRID 209120
[C:32](=[O:33])([O-:34])[O-:35].[CH3:21][O:22][C:23]([c:24]1[cH:25][n:26][cH:27][cH:28][c:29]1[NH2:30])=[O:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:20])[c:6](-[c:8]2[n:9][c:10]3[c:11]([c:12]([I:14])[n:13]2)[CH2:15][C:16]([CH3:18])([CH3:19])[CH2:17]3)[cH:7]1.[Cs+:36].[Cs+:37].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[Pd+2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:20])[c:6](-[c:8]2[n:9][c:10]3[c:11]([c:12]([NH:30][c:29]4[c:24]([C:23]([O:22][CH3:21])=[O:31])[cH:25][n:26][cH:27][cH:28]4)[n:13]2)[CH2:15][C:16]([CH3:18])([CH3:19])[CH2:17]3)[cH:7]1

Komponenten

8

Edukt 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 592353Methyl 4-aminopyridine-3-carboxylateHCID 211043092-(5-Chloro-2-fluoro-phenyl)-4-iodo-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidine

Produkt 1

HCID 588660424-[2-(5-Chloro-2-fluoro-phenyl)-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidin-4-ylamino]-nicotinic acid methyl ester

Quellen und Nachweise

ORD-Eintrag
ord-2c321f77c3c345909bdfa31f321cd7da
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Verknüpfte Notizen

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