Nitric Acid → Nitrodenafil

HRID 176179Notes

Reaction equation

HRID 176179 reaction equation
[CH2:5]([CH3:6])[O:7][c:8]1[c:9](-[c:14]2[nH:15][c:16](=[O:27])[c:17]3[c:18]([n:19]2)[c:20]([CH2:24][CH2:25][CH3:26])[n:21][n:22]3[CH3:23])[cH:10][cH:11][cH:12][cH:13]1.[OH2:28].[OH:1][N+:2]([O-:3])=[O:4].[S:29](=[O:30])(=[O:31])([OH:32])[OH:33]>>[O-:1][N+:2](=[O:4])[c:11]1[cH:10][c:9](-[c:14]2[nH:15][c:16](=[O:27])[c:17]3[c:18]([n:19]2)[c:20]([CH2:24][CH2:25][CH3:26])[n:21][n:22]3[CH3:23])[c:8]([O:7][CH2:5][CH3:6])[cH:13][cH:12]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 1354014775-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone

Product 1

HCID 135566056Nitrodenafil

Sources & evidence

ORD record
ord-b00435fa1fa240e88cfa9842b221a17d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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