HRID2378091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21314826

未命名化合物

结构：COc1c(NC(=O)c2cc3cccc(C=O)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID59856611

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)OCC(Cl)(Cl)Cl)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID58608299

未命名化合物

PROCEDURE

实验过程

Piperazine-1-carboxylic acid 2,2,2-trichloro-ethyl ester and 7-formyl-1-methyl-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide were reacted under the reductive amination conditions described in Example 2 to provide the desired 4-[2-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-1-methyl-1H-indol-7-ylmethyl]-piperazine-1-carboxylic acid 2,2,2-trichloro-ethyl ester.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80c8e3e951844bc8ab7cf80f8e43f7f6
来源数据集: uspto-grants-2008_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07470692B2
来源说明: uspto-grants-2008_12

反应 SMILES

[Cl:1][C:2]([Cl:14])([Cl:13])[CH2:3][O:4][C:5]([N:7]1[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]1)=[O:6].[C:15]([C:19]1[CH:20]=[C:21]([NH:42][S:43]([CH3:46])(=[O:45])=[O:44])[C:22]([O:40][CH3:41])=[C:23]([NH:25][C:26]([C:28]2[N:29]([CH3:39])[C:30]3[C:35]([CH:36]=2)=[CH:34][CH:33]=[CH:32][C:31]=3[CH:37]=O)=[O:27])[CH:24]=1)([CH3:18])([CH3:17])[CH3:16]>>[Cl:14][C:2]([Cl:1])([Cl:13])[CH2:3][O:4][C:5]([N:7]1[CH2:12][CH2:11][N:10]([CH2:37][C:31]2[CH:32]=[CH:33][CH:34]=[C:35]3[C:30]=2[N:29]([CH3:39])[C:28]([C:26](=[O:27])[NH:25][C:23]2[CH:24]=[C:19]([C:15]([CH3:18])([CH3:16])[CH3:17])[CH:20]=[C:21]([NH:42][S:43]([CH3:46])(=[O:45])=[O:44])[C:22]=2[O:40][CH3:41])=[CH:36]3)[CH2:9][CH2:8]1)=[O:6]