HRID391066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6422

未命名化合物

HCID688396

1-[(tert-Butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

C9H15NO4

结构：Cc1c(CN2CCNCC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

HCID56648673

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CN2CCN(C(=O)C3(N)CC3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

HCID58233901

未命名化合物

收率 100.8%

PROCEDURE

实验过程

Crude HCl salt of 5-(7-methyl-4-morpholino-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine (74 mg) was reacted with 70 mg 1-(tert-butoxycarbonylamino)cyclopropanecarboxylic acid via General Procedure B, treated with TFA and purified via reverse phase HPLC to yield 89.1 mg of 351 after reverse phase HPLC purification. MS (Q1) 510.3 (M)+.

WORKUP

后处理

custompurified via reverse phase HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c253345d8874a3b8a065aa315d52fcb
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08383620B2
来源说明: uspto-grants-2013_02

反应 SMILES

Cl.[CH3:2][C:3]1[C:7]2[N:8]=[C:9]([C:18]3[CH:19]=[N:20][C:21]([NH2:24])=[N:22][CH:23]=3)[N:10]=[C:11]([N:12]3[CH2:17][CH2:16][O:15][CH2:14][CH2:13]3)[C:6]=2[S:5][C:4]=1[CH2:25][N:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1.C(OC([NH:39][C:40]1([C:43](O)=[O:44])[CH2:42][CH2:41]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>>[NH2:39][C:40]1([C:43]([N:29]2[CH2:30][CH2:31][N:26]([CH2:25][C:4]3[S:5][C:6]4[C:11]([N:12]5[CH2:13][CH2:14][O:15][CH2:16][CH2:17]5)=[N:10][C:9]([C:18]5[CH:19]=[N:20][C:21]([NH2:24])=[N:22][CH:23]=5)=[N:8][C:7]=4[C:3]=3[CH3:2])[CH2:27][CH2:28]2)=[O:44])[CH2:42][CH2:41]1