Sodium ion → 7-(2-Methyl-4-(4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazol-3-yl)phenyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

HRID 1131204Notes

Reaction equation

HRID 1131204 reaction equation
[Br:35][c:36]1[cH:37][n:38][c:39]2[c:40]([n:41]1)[NH:42][C:43](=[O:46])[CH2:44][NH:45]2.[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:1][c:2]1[cH:3][c:4](-[c:17]2[n:18][n:19][cH:20][n:21]2[CH:22]2[O:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[CH:56]([OH:57])([CH3:58])[CH3:59].[Cl:47][CH2:48][Cl:49].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55]>>[CH3:1][c:2]1[cH:3][c:4](-[c:17]2[n:18][n:19][cH:20][n:21]2[CH:22]2[O:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1-[c:36]1[cH:37][n:38][c:39]2[c:40]([n:41]1)[NH:42][C:43](=[O:46])[CH2:44][NH:45]2

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 3776IsopropanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 533752283-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazoleHCID 866446447-Bromo-3,4-dihydropyrazino[2,3-B]pyrazin-2(1H)-one

Product 1

HCID 666077667-(2-Methyl-4-(4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazol-3-yl)phenyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one

Sources & evidence

ORD record
ord-3c334f94b3c94fb5828ec3b50ae576b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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