Bicarbonate Ion → 3-{[{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]methyl}-N-{[6-fluoro-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}benzamide

HRID 693580Notes

Reaction equation

HRID 693580 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:60][CH3:61])[c:10]([CH2:19][N:20]([CH3:21])[CH2:22][c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([F:59])[c:37](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH2:48][N:49]([C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Cl:74][CH2:75][Cl:76].[F:62][C:63]([F:64])([F:65])[C:66]([OH:67])=[O:68].[Na+:73].[O-:69][C:70]([OH:71])=[O:72]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:60][CH3:61])[c:10]([CH2:19][N:20]([CH3:21])[CH2:22][c:23]1[cH:24][c:25]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([F:59])[c:37](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:38]3)[cH:26][cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 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

Product 1

HCID 578135453-{[{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]methyl}-N-{[6-fluoro-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}benzamide

Sources & evidence

ORD record
ord-370ebb0665ca42b4bca8b654d23924f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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