Sodium ion → 5-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinamide

HRID 194454Notes

Reaction equation

HRID 194454 reaction equation
[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][CH:6]([CH2:9][N:10]2[c:11]3[c:12]([n:17][cH:18][c:19](-[c:21]4[c:22]([CH3:29])[cH:23][c:24]([C:27]#[N:28])[n:25][cH:26]4)[n:20]3)[NH:13][CH2:14][C:15]2=[O:16])[CH2:7][CH2:8]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36].[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[CH3:1][O:2][CH:3]1[CH2:4][CH2:5][CH:6]([CH2:9][N:10]2[c:11]3[c:12]([n:17][cH:18][c:19](-[c:21]4[c:22]([CH3:29])[cH:23][c:24]([C:27]([NH2:28])=[O:30])[n:25][cH:26]4)[n:20]3)[NH:13][CH2:14][C:15]2=[O:16])[CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 666077375-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinonitrile

Product 1

HCID 594530955-(8-(((trans)-4-Methoxycyclohexyl)methyl)-7-oxo-5,6,7,8-tetrahydropyrazino[2,3-b]pyrazin-2-yl)-4-methylpicolinamide

Sources & evidence

ORD record
ord-605397e79e7c4231ae6089b2b5b7731f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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