HRID1435287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66045

Diethyl 3-oxoglutarate

C9H14O5

结构：COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(=O)(=O)CCCCl)CC2)nc1N

HCID9983584

未命名化合物

HCID21117805

未命名化合物

HCID21226445

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(=O)(=O)CCCNC(CCO)CCO)CC2)nc1N

HCID58777629

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3283

Diethyl Ether

C4H10O

PROCEDURE

实验过程

The compound was prepared from [4-amino-2-[1-(3-chloro-propane-1-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone (Example 226) and 3-amino-pentane-1,5-diol (prepared from the methyl oxime of diethyl 1,3-acetonedicarboxylate, Aldrich, by reduction with lithium aluminum hydride in diethyl ether) in an analogous manner as described in Example 227. HR-MS (ES, m/z) calculated for C25H37N6O6SF2[(M+H)+] 587.2458, observed 587.2464.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e87775e133fb4e2db224542f51f86fbd
来源数据集: uspto-grants-2009_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07615634B2
来源说明: uspto-grants-2009_11

反应 SMILES

[NH2:1][C:2]1[C:7]([C:8]([C:10]2[C:15]([O:16][CH3:17])=[CH:14][CH:13]=[C:12]([F:18])[C:11]=2[F:19])=[O:9])=[CH:6][N:5]=[C:4]([NH:20][CH:21]2[CH2:26][CH2:25][N:24]([S:27]([CH2:30][CH2:31][CH2:32]Cl)(=[O:29])=[O:28])[CH2:23][CH2:22]2)[N:3]=1.[NH2:34][CH:35]([CH2:39][CH2:40][OH:41])[CH2:36][CH2:37][OH:38].CCOC(CC(CC(OCC)=O)=O)=O.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(OCC)C>[NH2:1][C:2]1[C:7]([C:8]([C:10]2[C:15]([O:16][CH3:17])=[CH:14][CH:13]=[C:12]([F:18])[C:11]=2[F:19])=[O:9])=[CH:6][N:5]=[C:4]([NH:20][CH:21]2[CH2:26][CH2:25][N:24]([S:27]([CH2:30][CH2:31][CH2:32][NH:34][CH:35]([CH2:39][CH2:40][OH:41])[CH2:36][CH2:37][OH:38])(=[O:29])=[O:28])[CH2:23][CH2:22]2)[N:3]=1