Sodium ion → 4-Ethyl-6-(4-(4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazol-3-yl)phenyl)-3,4-dihydro-pyrazino[2,3-b]pyrazin-2(1H)-one

HRID 2151401Notes

Reaction equation

HRID 2151401 reaction equation
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:14])[CH2:10][N:11]2[CH2:12][CH3:13].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:15]1[CH:16]([n:21]2[c:22](-[c:26]3[cH:27][cH:28][c:29]([B:32]4[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]4)[cH:30][cH:31]3)[n:23][n:24][cH:25]2)[CH2:17][CH2:18][CH2:19][CH2:20]1.[OH2:53]>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26](-[c:22]3[n:21]([CH:16]4[O:15][CH2:20][CH2:19][CH2:18][CH2:17]4)[cH:25][n:24][n:23]3)[cH:31][cH:30]2)[n:3][c:4]2[c:5]([n:6][cH:7]1)[NH:8][C:9](=[O:14])[CH2:10][N:11]2[CH2:12][CH3:13]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 582983054-(tetrahydro-2H-pyran-2-yl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4H-1,2,4-triazoleHCID 866446546-Bromo-4-ethyl-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 666071504-Ethyl-6-(4-(4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazol-3-yl)phenyl)-3,4-dihydro-pyrazino[2,3-b]pyrazin-2(1H)-one

Sources & evidence

ORD record
ord-4f1476f48d62435c92aec42c556ad692
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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