Dimethyl Sulfoxide → 2'-(trans-4-Aminocyclohexylamino)-5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridine-4-carbonitrile

HRID 197729

Reaction equation

HRID 197729 reaction equation
[CH3:26][S:27]([CH3:28])=[O:29].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH:30]1([NH2:37])[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]1.[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([NH:17][CH2:18][c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[cH:12][c:13]([C:15]#[N:16])[cH:14]2)[cH:4][c:5]([F:8])[n:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([NH:17][CH2:18][c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[cH:12][c:13]([C:15]#[N:16])[cH:14]2)[cH:4][c:5]([NH:37][CH:30]2[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]2)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 183741,4-DiaminocyclohexaneHCID 669369675'-Chloro-2'-fluoro-6-(3-fluorobenzylamino)-2,4'-bipyridine-4-carbonitrile

Product 1

HCID 669371942'-(trans-4-Aminocyclohexylamino)-5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridine-4-carbonitrile

Sources & evidence

ORD record
ord-c8abc3493cb74ef79fa6c1a50027a43e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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