Acetic Acid → 5-Bromo-3-(5-(4-isopropylpiperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one

HRID 170792Notes

Reaction equation

HRID 170792 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:28]([OH:29])(=[O:30])[CH3:31].[CH3:23][C:24]([CH3:25])=[O:26].[CH3:32][OH:33].[OH2:27]>>[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[n:12][cH:13][c:14]([N:17]3[CH2:18][CH2:19][N:20]([CH:24]([CH3:23])[CH3:25])[CH2:21][CH2:22]3)[cH:15][cH:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 962WaterHCID 580436655-Bromo-1-methyl-3-((5-(piperazin-1-yl)-pyridin-2-yl)amino)pyridin-2(1H)-one

Product 1

HCID 580437585-Bromo-3-(5-(4-isopropylpiperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one

Sources & evidence

ORD record
ord-bb75437d304a4a2d8056915eba74c664
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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