Potassium Cation → 1-(3-Pyrrol-1-yl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine

HRID 2330491Notes

Reaction equation

HRID 2330491 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[n:8]2[cH:9][cH:10][cH:11][cH:12]2)[cH:5][cH:6][cH:7]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH:13]1([NH2:14])[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]1[NH2:20].[Cu:44]([I:45])[I:46].[K+:36].[K+:37].[K+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[nH:21]1[n:22][cH:23][c:24]2[c:25]1[n:26][cH:27][n:28][c:29]2[NH2:30]>>[c:2]1(-[n:21]2[n:22][cH:23][c:24]3[c:25]2[n:26][cH:27][n:28][c:29]3[NH2:30])[cH:3][c:4](-[n:8]2[cH:9][cH:10][cH:11][cH:12]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 754201H-Pyrazolo[3,4-d]pyrimidin-4-amineHCID 83717Copper iodideHCID 6428181-(3-bromophenyl)-1H-pyrrole

Product 1

HCID 577502531-(3-Pyrrol-1-yl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine

Sources & evidence

ORD record
ord-8081238e2c964061a63ff276b169e684
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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