HRID43200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59292848

未命名化合物

结构：COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl

HCID59292911

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(Cl)c(OC)cc(OC)c5Cl)c5cccnc45)nc3)CC2)cc1

HCID44514183

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described in Step 14.1 but using 5-(2,6-dichloro-3,5-dimethoxy-phenyl)-quinoline-8-carboxylic acid (Step 159.1), 5-[4-(4-methoxy-benzyl)-piperazin-1-ylmethyl]-pyridin-2-ylamine (Step 105.1) and stirring the reaction mixture for 20 h at rt. Title compound: ESI-MS: 672.0 [M+H]+; TLC: Rf=0.25 (DCM/MeOH, 9:1).

WORKUP

后处理

customThe title compound was prepared in analogy to the procedure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d710e34630746749cd219ad3e0fed7a
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08536175B2
来源说明: uspto-grants-2013_09

反应 SMILES

[Cl:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]([O:10][CH3:11])=[C:4]([Cl:12])[C:3]=1[C:13]1[CH:22]=[CH:21][C:20]([C:23]([OH:25])=O)=[C:19]2[C:14]=1[CH:15]=[CH:16][CH:17]=[N:18]2.[CH3:26][O:27][C:28]1[CH:48]=[CH:47][C:31]([CH2:32][N:33]2[CH2:38][CH2:37][N:36]([CH2:39][C:40]3[CH:41]=[CH:42][C:43]([NH2:46])=[N:44][CH:45]=3)[CH2:35][CH2:34]2)=[CH:30][CH:29]=1>C(Cl)Cl.CO>[CH3:26][O:27][C:28]1[CH:29]=[CH:30][C:31]([CH2:32][N:33]2[CH2:38][CH2:37][N:36]([CH2:39][C:40]3[CH:41]=[CH:42][C:43]([NH:46][C:23]([C:20]4[CH:21]=[CH:22][C:13]([C:3]5[C:4]([Cl:12])=[C:5]([O:10][CH3:11])[CH:6]=[C:7]([O:8][CH3:9])[C:2]=5[Cl:1])=[C:14]5[C:19]=4[N:18]=[CH:17][CH:16]=[CH:15]5)=[O:25])=[N:44][CH:45]=3)[CH2:35][CH2:34]2)=[CH:47][CH:48]=1