HRID43128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66914536

未命名化合物

结构：COc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1C

HCID86641143

8-(2-Chloro-5-methoxy-3,6-dimethylphenyl)-5-quinoxalinecarboxylic acid

C18H15ClN2O3

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(C)c(OC)cc(C)c4Cl)c4nccnc34)nc2)CC1

HCID59292822

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 8-(2-chloro-5-methoxy-3,6-dimethyl-phenyl)-quinoxaline-5-carboxylic acid (Step 98.1), 5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine hydrochloride (Step 26.1) and stirring the reaction mixture for 20 h at rt. The crude product was purified by silica gel column chromatography (DCM/MeOH/NH3aq, 94:5:1). Title compound: ESI-MS: 545.0 [M+H]+; tR=3.91 min (System 1); TLC: Rf=0.23 (DCM/MeOH/NH3aq, 94:5:1).

WORKUP

后处理

customThe crude product was purified by silica gel column chromatography (DCM/MeOH/NH3aq, 94:5:1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddc61da8d4054e85bfefb8125a3f3958
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]([CH3:8])=[CH:6][C:5]([O:9][CH3:10])=[C:4]([CH3:11])[C:3]=1[C:12]1[C:21]2[N:20]=[CH:19][CH:18]=[N:17][C:16]=2[C:15]([C:22]([OH:24])=O)=[CH:14][CH:13]=1.Cl.[CH2:26]([N:28]1[CH2:33][CH2:32][N:31]([CH2:34][C:35]2[CH:36]=[CH:37][C:38]([NH2:41])=[N:39][CH:40]=2)[CH2:30][CH2:29]1)[CH3:27]>>[CH2:26]([N:28]1[CH2:29][CH2:30][N:31]([CH2:34][C:35]2[CH:36]=[CH:37][C:38]([NH:41][C:22]([C:15]3[C:16]4[N:17]=[CH:18][CH:19]=[N:20][C:21]=4[C:12]([C:3]4[C:4]([CH3:11])=[C:5]([O:9][CH3:10])[CH:6]=[C:7]([CH3:8])[C:2]=4[Cl:1])=[CH:13][CH:14]=3)=[O:24])=[N:39][CH:40]=2)[CH2:32][CH2:33]1)[CH3:27]