Acetonitrile → 1-((4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)-piperidin-1-yl)methyl)cyclopropanecarbonitrile

HRID 1549810Notes

Reaction equation

HRID 1549810 reaction equation
[CH3:30][c:31]1[cH:32][cH:33][c:34]([S:35]([O:36][CH2:41][C:42]2([C:45]#[N:46])[CH2:43][CH2:44]2)(=[O:37])=[O:38])[cH:39][cH:40]1.[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[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]([CH3:22])[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]([CH3:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:41][C:42]4([C:45]#[N:46])[CH2:43][CH2:44]4)[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 22028201(1-Cyanocyclopropyl)methyl 4-methylbenzenesulfonateHCID 582549005-chloro-N-(2,5-dimethyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Product 1

HCID 446121411-((4-(4-(5-chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-2,5-dimethylphenyl)-piperidin-1-yl)methyl)cyclopropanecarbonitrile

Sources & evidence

ORD record
ord-876b7a4c5f0e4992b5833e7f05553539
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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