Water → [4-Amino-2-[1-(3,5-dimethyl-isoxazole-4-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

HRID 203041

Reaction equation

HRID 203041 reaction equation
[CH3:35][c:36]1[n:37][o:38][c:39]([CH3:45])[c:40]1[S:41](=[O:42])(=[O:43])[Cl:44].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46]>>[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([S:41]([c:40]3[c:36]([CH3:35])[n:37][o:38][c:39]3[CH3:45])(=[O:42])=[O:43])[CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 27363193,5-Dimethylisoxazole-4-sulfonyl chlorideHCID 9997668[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

Product 1

HCID 9983599[4-Amino-2-[1-(3,5-dimethyl-isoxazole-4-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

Sources & evidence

ORD record
ord-58eea5fa1dcf4a48aacee263bcba82a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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