Acetate → 3-iodo-1-(4-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 317282Notes

Reaction equation

HRID 317282 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:39][C:40]#[N:41].[Cs+:16].[Cs+:17].[F:18][c:19]1[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]1.[I:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[NH4+:28].[OH2:38]>>[I:1][c:2]1[n:3][n:4](-[c:19]2[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

10

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9590p-FluoronitrobenzeneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 178508725HCID 178508725, compound

Product 1

HCID 223469083-iodo-1-(4-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-b743c989af4643bea880df9b6becb8ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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