HRID2109155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(C(=O)O)cc1-n1cc(-c2ccc(NCC3CC3)nc2)nn1

HCID21097294

未命名化合物

HCID21097353

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2S(C)=O)cc1-n1cc(-c2ccc(NCC3CC3)nc2)nn1

HCID21097104

未命名化合物

PROCEDURE

实验过程

Example 6 was prepared by coupling 3-{4-[6-(cyclopropylmethyl-amino)-pyridin-3-yl]-1,2,3-triazol-1-yl}-4-methyl-benzoic acid with 5-tert-butyl-2-methanesulfinyl-phenylamine (see U.S. provisional application 60/526,569) in the same manner as Example 1. ESI MS m/z 543 [C30H34N6O2S+H]+.

WORKUP

后处理

customExample 6 was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee30d7990543481491b1dbef9e0a8d0b
来源数据集: uspto-grants-2009_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07514458B2
来源说明: uspto-grants-2009_04

反应 SMILES

[CH:1]1([CH2:4][NH:5][C:6]2[N:11]=[CH:10][C:9]([C:12]3[N:13]=[N:14][N:15]([C:17]4[CH:18]=[C:19]([CH:23]=[CH:24][C:25]=4[CH3:26])[C:20](O)=[O:21])[CH:16]=3)=[CH:8][CH:7]=2)[CH2:3][CH2:2]1.[C:27]([C:31]1[CH:32]=[CH:33][C:34]([S:38]([CH3:40])=[O:39])=[C:35]([NH2:37])[CH:36]=1)([CH3:30])([CH3:29])[CH3:28]>>[C:27]([C:31]1[CH:32]=[CH:33][C:34]([S:38]([CH3:40])=[O:39])=[C:35]([NH:37][C:20](=[O:21])[C:19]2[CH:23]=[CH:24][C:25]([CH3:26])=[C:17]([N:15]3[CH:16]=[C:12]([C:9]4[CH:10]=[N:11][C:6]([NH:5][CH2:4][CH:1]5[CH2:2][CH2:3]5)=[CH:7][CH:8]=4)[N:13]=[N:14]3)[CH:18]=2)[CH:36]=1)([CH3:30])([CH3:28])[CH3:29]