HRID1617380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18673010

4-(Trifluoromethyl)-1,3-thiazole-2-carboxylic acid

C5H2F3NO2S

结构：C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C4(CC#N)CN(C5CCNCC5)C4)c3)ncnc21.Cl.Cl.Cl

HCID67391102

未命名化合物

PRODUCTS

生成物

结构：N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3nc(C(F)(F)F)cs3)CC2)C1

HCID58431379

未命名化合物

PROCEDURE

实验过程

Reaction of {1-piperidin-4-yl-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile trihydrochloride with 4-trifluoromethylthiazol-2-ylcarboxylic acid following the procedure described for Example 1, followed by HPLC purification (method B) provided the title compound. LC-MS: 542.2 (M+H)+.

WORKUP

后处理

customfollowed by HPLC purification (method B)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47ff72073f96410085f79691dbd607e6
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08765734B2
来源说明: uspto-grants-2014_07

反应 SMILES

Cl.Cl.Cl.[NH:4]1[CH2:9][CH2:8][CH:7]([N:10]2[CH2:13][C:12]([CH2:36][C:37]#[N:38])([N:14]3[CH:18]=[C:17]([C:19]4[C:20]5[CH:27]=[CH:26][N:25](COCC[Si](C)(C)C)[C:21]=5[N:22]=[CH:23][N:24]=4)[CH:16]=[N:15]3)[CH2:11]2)[CH2:6][CH2:5]1.[F:39][C:40]([F:50])([F:49])[C:41]1[N:42]=[C:43]([C:46](O)=[O:47])[S:44][CH:45]=1>>[N:22]1[C:21]2[NH:25][CH:26]=[CH:27][C:20]=2[C:19]([C:17]2[CH:16]=[N:15][N:14]([C:12]3([CH2:36][C:37]#[N:38])[CH2:13][N:10]([CH:7]4[CH2:8][CH2:9][N:4]([C:46]([C:43]5[S:44][CH:45]=[C:41]([C:40]([F:49])([F:39])[F:50])[N:42]=5)=[O:47])[CH2:5][CH2:6]4)[CH2:11]3)[CH:18]=2)=[N:24][CH:23]=1