HRID1350669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

结构：Cc1ccc(C(=O)O)cc1-n1cc(-c2ccc(CN3CCOCC3)nc2)nn1

HCID21097329

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccc(CN5CCOCC5)nc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097369

未命名化合物

PROCEDURE

实验过程

Example 13 was prepared by coupling 4-methyl-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)-[1,2,3]triazol-1-yl]-benzoic acid (2:1 with 4-methyl-3-[5-(6-morpholin-4-ylmethyl-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. Chromatography separated the triazole isomers. ESI MS m/z 635 [C32H39N7O5S+H]+.

WORKUP

后处理

customExample 13 was prepared
customChromatography separated the triazole

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d5383c6f9b4b3fa40e7107658fb2a5
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:17]=[N:18][C:19]([CH2:22][N:23]3[CH2:28][CH2:27][O:26][CH2:25][CH2:24]3)=[CH:20][CH:21]=2)[N:13]=[N:12]1.[NH2:29][C:30]1[C:31]([O:45][CH3:46])=[C:32]([NH:40][S:41]([CH3:44])(=[O:43])=[O:42])[CH:33]=[C:34]([C:36]([CH3:39])([CH3:38])[CH3:37])[CH:35]=1>>[C:36]([C:34]1[CH:33]=[C:32]([NH:40][S:41]([CH3:44])(=[O:43])=[O:42])[C:31]([O:45][CH3:46])=[C:30]([NH:29][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:17]=[N:18][C:19]([CH2:22][N:23]5[CH2:24][CH2:25][O:26][CH2:27][CH2:28]5)=[CH:20][CH:21]=4)[N:13]=[N:12]3)[CH:4]=2)[CH:35]=1)([CH3:39])([CH3:37])[CH3:38]