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

HRID 2146333Notes

Reaction equation

HRID 2146333 reaction equation
[Br:28][c:29]1[n:30][c:31]2[c:32]([n:33][cH:34]1)[NH:35][C:36](=[O:49])[C:37]([CH3:47])([CH3:48])[N:38]2[CH2:39][CH2:40][CH:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[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:66]([OH:67])([CH3:68])[CH3:69].[Cl:50][CH2:51][Cl:52].[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[OH2:59]>>[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:29]1[n:30][c:31]2[c:32]([n:33][cH:34]1)[NH:35][C:36](=[O:49])[C:37]([CH3:47])([CH3:48])[N:38]2[CH2:39][CH2:40][CH:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 3776IsopropanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 533752276-bromo-3,3-dimethyl-4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-oneHCID 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-triazole

Product 1

HCID 533752293,3-Dimethyl-6-(2-methyl-4-(4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazol-3-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-42d5afe24380465386e813c2a7c1258d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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