Potassium Cation → 1,1-Dimethylethyl 4-{[5'-({[(3-{[{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]methyl}phenyl)carbonyl]amino}methyl)-2'-fluoro-3-biphenylyl]methyl}-1-piperazinecarboxylate

HRID 1124516Notes

Reaction equation

HRID 1124516 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:22][CH3:23])[c:10]([CH2:19][NH:20][CH3:21])[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[Cl:24][CH2:25][c:26]1[cH:27][c:28]([C:32](=[O:33])[NH:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([F:62])[c:40](-[c:42]3[cH:43][c:44]([CH2:48][N:49]4[CH2:50][CH2:51][N:52]([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:53][CH2:54]4)[cH:45][cH:46][cH:47]3)[cH:41]2)[cH:29][cH:30][cH:31]1.[I-:69].[K+:63].[K+:64].[Na+:70].[O-:65][C:66]([O-:67])=[O:68].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:22][CH3:23])[c:10]([CH2:19][N:20]([CH3:21])[CH2:25][c:26]1[cH:27][c:28]([C:32](=[O:33])[NH:34][CH2:35][c:36]3[cH:37][cH:38][c:39]([F:62])[c:40](-[c:42]4[cH:43][c:44]([CH2:48][N:49]5[CH2:50][CH2:51][N:52]([C:55](=[O:56])[O:57][C:58]([CH3:59])([CH3:60])[CH3:61])[CH2:53][CH2:54]5)[cH:45][cH:46][cH:47]4)[cH:41]3)[cH:29][cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 578133271,6-Diethyl-5-[(methylamino)methyl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amineHCID 578133491,1-Dimethylethyl 4-({5'-[({[3-(chloromethyl)phenyl]carbonyl}amino)methyl]-2'-fluoro-3-biphenylyl}methyl)-1-piperazinecarboxylate

Product 1

HCID 578134351,1-Dimethylethyl 4-{[5'-({[(3-{[{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]methyl}phenyl)carbonyl]amino}methyl)-2'-fluoro-3-biphenylyl]methyl}-1-piperazinecarboxylate

Sources & evidence

ORD record
ord-34b8b6e8d5eb41ab8b16b3c8cc07a773
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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