Potassium Cation → 2-[1-[(6-Amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-(5-fluoro-3-pyridinyl)benzimidazole-4-carbonitrile

HRID 2161481Notes

Reaction equation

HRID 2161481 reaction equation
[CH2:37]([Sn:38]([CH2:39][CH2:40][CH2:41][CH3:44])([C:42]#[N:43])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[K+:35].[K+:36].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:10][CH:11]([CH3:12])[c:13]2[n:14][c:15]3[c:16]([n:17]2-[c:18]2[cH:19][n:20][cH:21][c:22]([F:24])[cH:23]2)[c:25]([Br:29])[cH:26][cH:27][cH:28]3)[c:7]1[C:8]#[N:9].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[P:30]([O-:31])([O-:32])([OH:33])=[O:34]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]([NH:10][CH:11]([CH3:12])[c:13]2[n:14][c:15]3[c:16]([n:17]2-[c:18]2[cH:19][n:20][cH:21][c:22]([F:24])[cH:23]2)[c:25]([C:42]#[N:43])[cH:26][cH:27][cH:28]3)[c:7]1[C:8]#[N:9]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 200512Stannanecarbonitrile, tributyl-HCID 3681305Hydrogen phosphateHCID 534821944-amino-6-(1-(7-bromo-1-(5-fluoropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)ethylamino)pyrimidine-5-carbonitrile

Product 1

HCID 584591332-[1-[(6-Amino-5-cyanopyrimidin-4-yl)amino]ethyl]-3-(5-fluoro-3-pyridinyl)benzimidazole-4-carbonitrile

Sources & evidence

ORD record
ord-6e4856ae7bf843bea487585cfe71d946
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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