HRID518654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11461

Benzoic acid, 3-methoxy-

C8H8O3

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：COc1cccc(C(=O)/N=c2\[nH]c3cnc(OCCN4CCCCC4)cc3n2[C@H]2CC[C@@H](C(=O)NC(C)C)CC2)c1$

HCID178490496

未命名化合物

收率 42.5%

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 3-methoxybenzoic acid. The material was purified via preparative HPLC (0.1% NH4OH in ACN/H2O) to provide (E)-N(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(2-(piperidin-1-yl)ethoxy)-1H-imidazo[4,5-c]pyridin-2(3H)-ylidene)-3-methoxy-benzamide (42.5% yield). MS m/z=563.4 [M+H], calc 562.71 for C31H42N6O4.

WORKUP

后处理

customThe title compound was prepared
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-f36b1de044884cb8a8cfa7d773816a5f
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:32]([C:34]2[CH:35]=[CH:36][C:37]3C=CS[C:38]=3[CH:42]=2)=[O:33])[CH2:9][CH2:8]1)=[O:6])([CH3:3])[CH3:2].[CH3:43][O:44]C1C=C(C=CC=1)C(O)=O>>[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:32](=[O:33])[C:34]2[CH:35]=[CH:36][CH:37]=[C:38]([O:44][CH3:43])[CH:42]=2)[CH2:9][CH2:8]1)=[O:6])([CH3:2])[CH3:3]