Potassium Cation → N2-(4-{4-amino-1-[1-(2-fluoroethyl)-4-piperidyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-2-indolecarboxamide

HRID 155952Notes

Reaction equation

HRID 155952 reaction equation
[Br:38][CH2:39][CH2:40][F:41].[C:42](=[O:43])([O-:44])[O-:45].[I-:49].[K+:46].[K+:47].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1.[Na+:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:32]1[CH2:33][CH2:34][N:35]([CH2:39][CH2:40][F:41])[CH2:36][CH2:37]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 129822-Fluoroethyl bromideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 20817350HCID 20817350, compound

Product 1

HCID 22346950N2-(4-{4-amino-1-[1-(2-fluoroethyl)-4-piperidyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-2-indolecarboxamide

Sources & evidence

ORD record
ord-530f890230c244168e74a2b4e1c8c21a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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