Methanol → 3-(4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-5-fluoro-2-methylphenyl)piperidin-1-yl)propanenitrile

HRID 148525Notes

Reaction equation

HRID 148525 reaction equation
[CH2:30]=[CH:31][C:32]#[N:33].[CH3:34][OH:35].[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:30][CH2:31][C:32]#[N:33])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1

Participants

4

Reactant 3

HCID 887MethanolHCID 7855AcrylonitrileHCID 446126165-chloro-N2-(2-fluoro-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Product 1

HCID 446122553-(4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-5-fluoro-2-methylphenyl)piperidin-1-yl)propanenitrile

Sources & evidence

ORD record
ord-f8b549c205f943bcba058cb8ebdbba89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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