Carbonate Ion → 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N,2-dimethylpropanamide

HRID 1546412Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 1546412
[C:52](=[O:53])([O-:54])[O-:55].[CH2:37]1[CH:38]2[N:39]([CH2:40][C:41](=[O:43])[NH:42]1)[CH2:44][CH2:45][CH2:46]2.[CH3:47][N:48]([CH3:49])[CH2:50][NH2:51].[Cs+:56].[Cs+:57].[Cu:64]([I:65])[I:66].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:42]3[CH2:37][CH:38]4[N:39]([CH2:40][C:41]3=[O:43])[CH2:44][CH2:45][CH2:46]4)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]

Komponenten

8

Edukt 7

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 5250464Methanediamine, N,N-dimethyl-HCID 13607513Hexahydropyrrolo[1,2-a]pyrazin-3(4h)-oneHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Produkt 1

HCID 732303112-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N,2-dimethylpropanamide

Quellen und Nachweise

ORD-Eintrag
ord-fb9256880b8e44deb0678b5a2cda2031
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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