Hydrochloric Acid → 5-chloro-N2-(2-fluoro-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

HRID 1128905Notes

Reaction equation

HRID 1128905 reaction equation
[CH3:54][CH:55]([OH:56])[CH3:57].[Cl:1][c:2]1[c:3]([NH:24][c:25]2[n:26][nH:27][c:28]([CH3:30])[cH:29]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:23])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[ClH:53].[NH2:31][c:32]1[c:33]([F:34])[cH:35][c:36]([CH:37]2[CH2:38][CH2:39][N:40]([C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[CH2:48][CH2:49]2)[c:50]([CH3:51])[cH:52]1>>[Cl:1][c:2]1[c:3]([NH:24][c:25]2[n:26][nH:27][c:28]([CH3:30])[cH:29]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:23])[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

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 446126145-Chloro-N2-(2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamineHCID 58255168Tert-butyl 4-(4-amino-5-fluoro-2-methylphenyl)piperidine-1-carboxylate

Product 1

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

Sources & evidence

ORD record
ord-669c6354e84741b69f31752f09b71d9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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