Sodium ion → 2-(1-Methyl-5-(5-(1-methylazetidin-3-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

HRID 702366Notes

Reaction equation

HRID 702366 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][N:19]([CH3:21])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:22]([CH3:23])(=[O:24])[O:25][CH2:26][c:27]1[c:28]([N:42]2[C:43](=[O:55])[c:44]3[n:45]([c:46]4[c:51]([cH:52]3)[CH2:50][CH2:49][CH2:48][CH2:47]4)[CH2:53][CH2:54]2)[cH:29][cH:30][cH:31][c:32]1[B:33]1[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]1.[C:56](=[O:57])([O-:58])[O-:59].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[Na+:60].[Na+:61]>>[c:2]1(-[c:32]2[c:27]([CH2:26][O:25][C:22]([CH3:23])=[O:24])[c:28]([N:42]3[C:43](=[O:55])[c:44]4[n:45]([c:46]5[c:51]([cH:52]4)[CH2:50][CH2:49][CH2:48][CH2:47]5)[CH2:53][CH2:54]3)[cH:29][cH:30][cH:31]2)[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]3[CH2:18][N:19]([CH3:21])[CH2:20]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 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 580440835-Bromo-1-methyl-3-(5-(1-methylazetidin-3-yl)pyridin-2-ylamino)pyridine-2(1H)-one

Product 1

HCID 866612442-(1-Methyl-5-(5-(1-methylazetidin-3-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

Sources & evidence

ORD record
ord-efe51f2c53fc48adacaec61a91ab4894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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