HRID1350656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

结构：Cc1cc(C(=O)O)cc(-n2cc(-c3cccnc3)nn2)c1C

HCID21097296

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc(C)c(C)c(-n3cc(-c4cccnc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097178

未命名化合物

PROCEDURE

实验过程

Example 8 was prepared by coupling 3,4-dimethyl-5-(4-pyridin-3-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 549 [C28H32N6O4S+H]+.

WORKUP

后处理

customExample 8 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ad80e6c99a941e0be31ccc3b8fcbd12
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:3]=[C:4]([CH:8]=[C:9]([N:12]2[CH:16]=[C:15]([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=3)[N:14]=[N:13]2)[C:10]=1[CH3:11])[C:5]([OH:7])=O.[NH2:23][C:24]1[C:25]([O:39][CH3:40])=[C:26]([NH:34][S:35]([CH3:38])(=[O:37])=[O:36])[CH:27]=[C:28]([C:30]([CH3:33])([CH3:32])[CH3:31])[CH:29]=1>>[C:30]([C:28]1[CH:27]=[C:26]([NH:34][S:35]([CH3:38])(=[O:37])=[O:36])[C:25]([O:39][CH3:40])=[C:24]([NH:23][C:5](=[O:7])[C:4]2[CH:8]=[C:9]([N:12]3[CH:16]=[C:15]([C:17]4[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=4)[N:14]=[N:13]3)[C:10]([CH3:11])=[C:2]([CH3:1])[CH:3]=2)[CH:29]=1)([CH3:33])([CH3:31])[CH3:32]