Acetic Acid → 3-(cyclopropyl(6-methyl-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)propanenitrile

HRID 2126072Notes

Reaction equation

HRID 2126072 reaction equation
[C:38]([BH3-:39])#[N:40].[CH2:36]=[O:37].[CH3:32][C:33](=[O:34])[OH:35].[CH3:42][OH:43].[CH:1]1([N:4]([CH2:5][CH2:6][C:7]#[N:8])[c:9]2[c:10]3[c:11]([n:12][c:13]([NH:15][c:16]4[cH:17][cH:18][c:19](-[n:22]5[c:23]([CH3:27])[n:24][cH:25][cH:26]5)[cH:20][cH:21]4)[n:14]2)[CH2:28][CH2:29][NH:30][CH2:31]3)[CH2:2][CH2:3]1.[Na+:41]>>[CH:1]1([N:4]([CH2:5][CH2:6][C:7]#[N:8])[c:9]2[c:10]3[c:11]([n:12][c:13]([NH:15][c:16]4[cH:17][cH:18][c:19](-[n:22]5[c:23]([CH3:27])[n:24][cH:25][cH:26]5)[cH:20][cH:21]4)[n:14]2)[CH2:28][CH2:29][N:30]([CH3:32])[CH2:31]3)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 593337983-(Cyclopropyl(2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)propanenitrile

Product 1

HCID 461995873-(cyclopropyl(6-methyl-2-(4-(2-methyl-1H-imidazol-1-yl)phenylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)propanenitrile

Sources & evidence

ORD record
ord-aa471a9b707841048aa5b256a4b6f97e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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