Dimethylformamide → 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-4-(4-methyl-piperazin-1-yl)-phenyl]-amide

HRID 1543414Notes

Reaction equation

HRID 1543414 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][n:9][c:10]2[C:11](=[O:12])[OH:13].[CH3:14][N:15]1[CH2:16][CH2:17][N:18]([c:21]2[cH:22][c:23]([NH2:28])[c:24]([NH2:27])[cH:25][cH:26]2)[CH2:19][CH2:20]1.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][n:9][c:10]2[C:11](=[O:13])[NH:27][c:24]1[c:23]([NH2:28])[cH:22][c:21]([N:18]2[CH2:17][CH2:16][N:15]([CH3:14])[CH2:20][CH2:19]2)[cH:26][cH:25]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27635454-(4-Methylpiperazino)-1,2-benzenediamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178524942HCID 178524942, compound

Product 1

HCID 1784807545-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-4-(4-methyl-piperazin-1-yl)-phenyl]-amide

Sources & evidence

ORD record
ord-f272b9e2e413461db75143325b76a61d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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