1-Butanol → 6-Chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(3-phenylisoxazol-5-ylmethyl)-pyrimidine-2,4-diamine

HRID 1220153Notes

Reaction equation

HRID 1220153 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[n:3][c:4]([Cl:17])[cH:5][c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1.[c:27]1(-[c:33]2[n:34][o:35][c:36]([CH2:38][NH2:39])[cH:37]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:2]1([NH:39][CH2:38][c:36]2[o:35][n:34][c:33](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:37]2)[n:3][c:4]([Cl:17])[cH:5][c:6]([NH:8][c:9]2[n:10][nH:11][c:12]([CH:14]3[CH2:15][CH2:16]3)[cH:13]2)[n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 27641651-(3-Phenyl-1,2-oxazol-5-yl)methanamineHCID 219910812,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Product 1

HCID 116686486-Chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(3-phenylisoxazol-5-ylmethyl)-pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-c499a9bfd89b4691811f5811288f7471
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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