Potassium Cation → 3-[7-[(3,5-dimethylisoxazol-4-yl)methyl]-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

HRID 682204

Reaktionsgleichung

Reaktionsgleichung von HRID 682204
[C:42](=[O:43])([O-:44])[O-:45].[CH3:10][n:11]1[c:12](=[O:41])[nH:13][c:14]2[c:15]([c:16]1=[O:17])[c:18](-[c:32]1[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][cH:40]1)[n:19]([CH2:21][c:22]1[cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]13)[n:20]2.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:1][CH2:2][c:3]1[c:4]([CH3:9])[n:5][o:6][c:7]1[CH3:8].[K+:46].[K+:47]>>[CH2:2]([c:3]1[c:4]([CH3:9])[n:5][o:6][c:7]1[CH3:8])[n:13]1[c:12](=[O:41])[n:11]([CH3:10])[c:16](=[O:17])[c:15]2[c:14]1[n:20][n:19]([CH2:21][c:22]1[cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]13)[c:18]2-[c:32]1[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39][cH:40]1

Komponenten

6

Edukt 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 88246Isoxazole, 4-(chloromethyl)-3,5-dimethyl-HCID 1363341153-[5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

Produkt 1

HCID 589810443-[7-[(3,5-dimethylisoxazol-4-yl)methyl]-5-methyl-2-(1-naphthylmethyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid

Quellen und Nachweise

ORD-Eintrag
ord-241891fe77244694a6cfe5195d3ff58f
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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