HRID1645353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(CC(=O)N1CCN(c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cn2)CC1)C(=O)O

HCID46207828

未命名化合物

结构：CCOc1cccc2c1cc(C(=O)Nc1ccc(N3CCNCC3)cc1)n2CC

HCID66775649

未命名化合物

PRODUCTS

生成物

结构：CCOc1cccc2c1cc(C(=O)Nc1ccc(N3CCN(C(=O)CC(C)(C)C(=O)O)CC3)cc1)n2CC

HCID59365196

未命名化合物

PROCEDURE

实验过程

With a method similar to that used for the preparation of 4-(4-{5-[(4-chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid, 4-(4-{4-[(4-ethoxy-1-ethyl-1,1-indole-2-carbonyl)-amino]-phenyl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid was prepared from 4-ethoxy-1-ethyl-1H-indole-2-carboxylic acid (4-piperazin-4-yl-phenyl)-amide. LCMS for C29H36N4O5 calcd. (m/e) 520, observed 521 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b56acb3e98b4721bcaadbd2d3f6ed09
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08124766B2
来源说明: uspto-grants-2012_02

反应 SMILES

ClC1C2C=C(C(NC3C=CC(N4CCN([C:26](=[O:34])[CH2:27][C:28]([CH3:33])([CH3:32])[C:29]([OH:31])=[O:30])CC4)=NC=3)=O)SC=2C=CC=1.[NH:35]1[CH2:40][CH2:39][N:38]([C:41]2[CH:46]=[CH:45][C:44]([NH:47][C:48]([C:50]3[N:51]([CH2:62][CH3:63])[C:52]4[C:57]([CH:58]=3)=[C:56]([O:59][CH2:60][CH3:61])[CH:55]=[CH:54][CH:53]=4)=[O:49])=[CH:43][CH:42]=2)[CH2:37][CH2:36]1>>[CH2:60]([O:59][C:56]1[CH:55]=[CH:54][CH:53]=[C:52]2[C:57]=1[CH:58]=[C:50]([C:48]([NH:47][C:44]1[CH:45]=[CH:46][C:41]([N:38]3[CH2:39][CH2:40][N:35]([C:26](=[O:34])[CH2:27][C:28]([CH3:33])([CH3:32])[C:29]([OH:31])=[O:30])[CH2:36][CH2:37]3)=[CH:42][CH:43]=1)=[O:49])[N:51]2[CH2:62][CH3:63])[CH3:61]