Sodium ion → 6-(4-(2-Hydroxypropan-2-yl)phenyl)-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

HRID 144022Notes

Reaction equation

HRID 144022 reaction equation
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:20])[CH2:10][N:11]2[CH2:12][CH2:13][CH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[OH:38])[cH:33][cH:34]2)[O:39]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:51]>>[c:2]1(-[c:29]2[cH:30][cH:31][c:32]([C:35]([CH3:36])([CH3:37])[OH:38])[cH:33][cH:34]2)[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:20])[CH2:10][N:11]2[CH2:12][CH2:13][CH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 591660132-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-olHCID 715670836-Bromo-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 582983346-(4-(2-Hydroxypropan-2-yl)phenyl)-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Sources & evidence

ORD record
ord-07eeecb4566540d5a23c610a34797059
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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