Acetate → [2-(1-Methyl-5-{[5-(oxetan-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)-6-{1-oxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrazino[1,2-a]indol-2-yl}phenyl]methyl Acetate

HRID 171614Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 171614
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][n:13]3[c:14]([cH:23]2)[CH2:15][N:16]([CH:19]2[CH2:20][O:21][CH2:22]2)[CH2:17][CH2:18]3)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:24]([CH3:25])(=[O:26])[O:27][CH2:28][c:29]1[c:30]([N:44]2[C:45](=[O:57])[c:46]3[n:47]([c:48]4[c:53]([cH:54]3)[CH2:52][CH2:51][CH2:50][CH2:49]4)[CH2:55][CH2:56]2)[cH:31][cH:32][cH:33][c:34]1[B:35]1[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]1.[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:63][C:64]#[N:65].[Na+:62]>>[c:2]1(-[c:34]2[c:29]([CH2:28][O:27][C:24]([CH3:25])=[O:26])[c:30]([N:44]3[C:45](=[O:57])[c:46]4[n:47]([c:48]5[c:53]([cH:54]4)[CH2:52][CH2:51][CH2:50][CH2:49]5)[CH2:55][CH2:56]3)[cH:31][cH:32][cH:33]2)[cH:3][c:4]([NH:10][c:11]2[n:12][n:13]3[c:14]([cH:23]2)[CH2:15][N:16]([CH:19]2[CH2:20][O:21][CH2:22]2)[CH2:17][CH2:18]3)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Komponenten

6

Edukt 5

HCID 175AcetateHCID 923Sodium ionHCID 6342AcetonitrileHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 580441695-bromo-1-methyl-3-(5-(oxetan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one

Produkt 1

HCID 58043838[2-(1-Methyl-5-{[5-(oxetan-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)-6-{1-oxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrazino[1,2-a]indol-2-yl}phenyl]methyl Acetate

Quellen und Nachweise

ORD-Eintrag
ord-27c9dcde707d494988afd0038ff84172
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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