HRID1171893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8018

2-Methoxyethylamine

C3H9NO

HCID21209

4-Chloro-1,3-diaminobenzene

C6H7ClN2

结构：COc1c(Nc2cc(NC(=O)c3sccc3NCc3ccnc4ccccc34)ccc2Cl)c(=O)c1=O

HCID86605119

未命名化合物

PRODUCTS

生成物

结构：COCCNc1c(Nc2cc(NC(=O)c3sccc3NCc3ccnc4ccccc34)ccc2Cl)c(=O)c1=O

HCID11685512

未命名化合物

PROCEDURE

实验过程

EXAMPLE 47 was prepared according to the procedure described in EXAMPLE 3 using N-{3-[(2-methoxy-3,4-dioxocyclobut-1-en-1-yl)amino]-4-chlorophenyl}-3-[(quinolin-4-ylmethyl)amino]thiophene-2-carboxamide (prepared according to the procedure described in EXAMPLE 1 using 4-chloro-1,3-phenylenediamine instead of 1,3-phenylenediamine) and 2-methoxyethylamine instead of dimethylamine. MS (ES+): m/z 561.9 [M+1]

WORKUP

后处理

customEXAMPLE 47 was prepared
customprepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d435fc5b1c73415baa94ee85ddbe5288
来源数据集: uspto-grants-2010_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07829717B2
来源说明: uspto-grants-2010_11

反应 SMILES

CO[C:3]1[C:6](=[O:7])[C:5](=[O:8])[C:4]=1[NH:9][C:10]1[CH:11]=[C:12]([NH:17][C:18]([C:20]2[S:21][CH:22]=[CH:23][C:24]=2[NH:25][CH2:26][C:27]2[C:36]3[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=3)[N:30]=[CH:29][CH:28]=2)=[O:19])[CH:13]=[CH:14][C:15]=1[Cl:16].ClC1C=CC(N)=CC=1N.[CH3:46][O:47][CH2:48][CH2:49][NH2:50]>>[N:30]1[C:31]2[C:36](=[CH:35][CH:34]=[CH:33][CH:32]=2)[C:27]([CH2:26][NH:25][C:24]2[CH:23]=[CH:22][S:21][C:20]=2[C:18]([NH:17][C:12]2[CH:13]=[CH:14][C:15]([Cl:16])=[C:10]([NH:9][C:4]3[C:5](=[O:8])[C:6](=[O:7])[C:3]=3[NH:50][CH2:49][CH2:48][O:47][CH3:46])[CH:11]=2)=[O:19])=[CH:28][CH:29]=1