HRID2409770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID21899815

未命名化合物

结构：COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(Cl)c(OC)cc(OC)c5Cl)c5cccnc45)cn3)CC2)cc1

HCID59292891

未命名化合物

HCID178483302

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN(C)C)c[nH]3)c3ncccc23)c1Cl

HCID178493460

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID935

Nickel

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedures described in Example 14 but using 5-(2,6-dichloro-3,5-dimethoxy-phenyl)-quinoline-8-carboxylic acid (6-piperazin-1-ylmethyl-pyridin-3-yl)-amide (Example 170), dimethyl-(2-nitro-1H-imidazol-4-ylmethyl)-amine (Step 22.1) instead of 2-nitroimidazole in Step 14.3, and Raney nickel and MeOH/THF (1:1) instead of palladium on carbon and MeOH in Step 14.2. The title compound: ESI-MS: 500.0 [M+H]+; tR=3.50 min (System 1); TLC: Rf=0.20 (DCM/MeOH, 9:1).

WORKUP

后处理

customThe title compound was prepared in analogy to the procedures

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27f8bd3e890647d6abfbdb279437dd9f
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08815901B2
来源说明: uspto-grants-2014_08

反应 SMILES

COC1C=CC(CN2CCN(CC3N=CC([NH:21][C:22]([C:24]4[CH:25]=[CH:26][C:27]([C:34]5[C:39]([Cl:40])=[C:38]([O:41][CH3:42])[CH:37]=[C:36]([O:43][CH3:44])[C:35]=5[Cl:45])=[C:28]5[C:33]=4[N:32]=[CH:31][CH:30]=[CH:29]5)=[O:23])=CC=3)CC2)=CC=1.[CH3:48][N:49]([CH3:59])[CH2:50][C:51]1[N:52]=[C:53]([N+]([O-])=O)[NH:54][CH:55]=1.CO.C1COCC1.CO>[Ni].C(Cl)Cl.CO>[CH3:48][N:49]([CH2:50][C:51]1[N:52]=[C:53]([NH:21][C:22]([C:24]2[CH:25]=[CH:26][C:27]([C:34]3[C:39]([Cl:40])=[C:38]([O:41][CH3:42])[CH:37]=[C:36]([O:43][CH3:44])[C:35]=3[Cl:45])=[C:28]3[C:33]=2[N:32]=[CH:31][CH:30]=[CH:29]3)=[O:23])[NH:54][CH:55]=1)[CH3:59]