HRID1350648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

HCID21097330

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccccn4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097216

未命名化合物

PROCEDURE

实验过程

Example 3 was prepared by coupling 4-methyl-3-(4-pyridin-2-yl-[1,2,3]triazol-1-yl)-benzoic acid with N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methane-sulfonamide in the same manner as Example 1. ESI MS m/z 533 [C27H30N6O4S+H]+.

WORKUP

后处理

customExample 3 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bfd5db8cf844daa9db40549469a05ab
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07214802B2
来源说明: uspto-grants-2007_05

反应 SMILES

[CH3:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[N:11]1[CH:15]=[C:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=2)[N:13]=[N:12]1.[NH2:22][C:23]1[C:24]([O:38][CH3:39])=[C:25]([NH:33][S:34]([CH3:37])(=[O:36])=[O:35])[CH:26]=[C:27]([C:29]([CH3:32])([CH3:31])[CH3:30])[CH:28]=1>>[C:29]([C:27]1[CH:26]=[C:25]([NH:33][S:34]([CH3:37])(=[O:36])=[O:35])[C:24]([O:38][CH3:39])=[C:23]([NH:22][C:6](=[O:8])[C:5]2[CH:9]=[CH:10][C:2]([CH3:1])=[C:3]([N:11]3[CH:15]=[C:14]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=4)[N:13]=[N:12]3)[CH:4]=2)[CH:28]=1)([CH3:32])([CH3:30])[CH3:31]