Methanol → (4-(4-(5-Chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-5-fluoro-2-methylphenyl)piperidin-1-yl)(3-isopropyl-1,2,4-oxadiazol-5-yl)methanone

HRID 2335272Notes

Reaction equation

HRID 2335272 reaction equation
[CH3:51][OH:52].[CH:30]([CH3:31])([CH3:32])[c:33]1[n:34][o:35][c:36]([C:38]([Cl:39])([Cl:40])[Cl:41])[n:37]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[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]([C:38]([c:36]4[o:35][n:34][c:33]([CH:30]([CH3:31])[CH3:32])[n:37]4)=[O:52])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 81531DiisopropylethylamineHCID 446126165-chloro-N2-(2-fluoro-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamineHCID 509865513-(Propan-2-yl)-5-(trichloromethyl)-1,2,4-oxadiazole

Product 1

HCID 58255002(4-(4-(5-Chloro-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)-5-fluoro-2-methylphenyl)piperidin-1-yl)(3-isopropyl-1,2,4-oxadiazol-5-yl)methanone

Sources & evidence

ORD record
ord-44bf8072e1424b6190db19ada4fec21b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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