HRID518660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID506057

4-Carbamoylbenzoic acid

C8H7NO3

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc4ccsc4c3)[nH]c3cnc(OCCN4CCCCC4)cc32)CC1

HCID178457785

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(C(N)=O)cc3)[nH]c3cnc(OCCN4CCCCC4)cc32)CC1

HCID178457788

未命名化合物

收率 11.9%

PROCEDURE

实验过程

The title compound was prepared using a method analogous to the preparation of (E)-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)benzo[b]thiophene-6-carboxamide, using 4-carbamoylbenzoic acid. The material was purified via preparative HPLC (0.1% NH4OH in ACN/H2O) to provide (E)-N1-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)terephthalamide (11.9% yield). MS m/z=576.2 [M+H], calc 575.71 for C31H41N7O4.

WORKUP

后处理

customThe material was purified via preparative HPLC (0.1% NH4OH in ACN/H2O)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1258a88560484f99b1a683bd84d3689b
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09115127B2
来源说明: uspto-grants-2015_08

反应 SMILES

[CH:1]([NH:4][C:5]([C@@H:7]1[CH2:12][CH2:11][C@H:10]([N:13]2[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/[C:14]/2=[N:31]\C(C2C=CC3C=CSC=3C=2)=O)[CH2:9][CH2:8]1)=[O:6])([CH3:3])[CH3:2].[C:43]([C:46]1[CH:54]=[CH:53][C:49]([C:50](O)=[O:51])=[CH:48][CH:47]=1)(=[O:45])[NH2:44]>>[CH:1]([NH:4][C:5]([C@@H:7]1[CH2:8][CH2:9][C@H:10]([N:13]2[C:21]3[CH:20]=[C:19]([O:22][CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]4)[N:18]=[CH:17][C:16]=3[NH:15]/[C:14]/2=[N:31]\[C:50](=[O:51])[C:49]2[CH:53]=[CH:54][C:46]([C:43]([NH2:44])=[O:45])=[CH:47][CH:48]=2)[CH2:11][CH2:12]1)=[O:6])([CH3:3])[CH3:2]