HRID2204329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1ccn(C(C)C)c1C(O)c1ccc(Cl)cc1

HCID86703105

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccn(C(C)C)c1C(Nc1cc(Cl)c(=O)n(Cc2ccc(OC)cc2)c1)c1ccc(C#N)cc1

HCID86703137

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described for Step L3, but 2-[(4-cyano-phenyl)-hydroxy-methyl]-1-isopropyl-1H-pyrrole-3-carboxylic acid ethyl ester (Step H4) and 5-amino-3-chloro-1-(4-methoxy-benzyl)-1H-pyridin-2-one (Step O4) were used instead of 2-[(4-chloro-phenyl)-hydroxy-methyl]-1-isopropyl-1H-pyrrole-3-carboxylic acid ethyl ester and 3-amino-5-chloro-1-methyl-1H-pyridin-2-one respectively. The title compound was obtained as a white solid. ESI-MS: tR=1.20 min, [M+H]+ 559/561 (LC-MS 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-d150d408732c41eaa9e7aa2bb89c9f1b
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09365576B2
来源说明: uspto-grants-2016_06

反应 SMILES

[CH2:1]([O:3][C:4]([C:6]1[CH:10]=[CH:9][N:8]([CH:11]([CH3:13])[CH3:12])[C:7]=1[CH:14]([C:16]1[CH:21]=[CH:20][C:19]([C:22]#[N:23])=[CH:18][CH:17]=1)O)=[O:5])[CH3:2].[NH2:24][C:25]1[CH:26]=[C:27]([Cl:41])[C:28](=[O:40])[N:29]([CH2:31][C:32]2[CH:37]=[CH:36][C:35]([O:38][CH3:39])=[CH:34][CH:33]=2)[CH:30]=1.C(OC(C1C=CN(C(C)C)C=1C(C1C=CC(Cl)=CC=1)O)=O)C.NC1C(=O)N(C)C=C(Cl)C=1>>[CH2:1]([O:3][C:4]([C:6]1[CH:10]=[CH:9][N:8]([CH:11]([CH3:13])[CH3:12])[C:7]=1[CH:14]([NH:24][C:25]1[CH:26]=[C:27]([Cl:41])[C:28](=[O:40])[N:29]([CH2:31][C:32]2[CH:37]=[CH:36][C:35]([O:38][CH3:39])=[CH:34][CH:33]=2)[CH:30]=1)[C:16]1[CH:21]=[CH:20][C:19]([C:22]#[N:23])=[CH:18][CH:17]=1)=[O:5])[CH3:2]