HRID1881698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)O)c(C)c1

HCID57819715

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(OCCn2cncn2)(c2cccnc2)CC1

HCID57916248

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2COCC(=O)N2CCC(OCCn3cncn3)(c3cccnc3)CC2)c(C)c1

HCID44465886

未命名化合物

收率 24%

PROCEDURE

实验过程

The desired target compound was synthesized under reaction conditions analogously to the process described for Example 61 (see below) from (S)-2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)acetic acid [acid D] and tert-butyl 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)-4-(pyridin-3-yl)piperidine-1-carboxylate [amine G]. Yield: 24%. MS, Rt=3.3 min, m/z=627.4 [MH]+

WORKUP

后处理

customThe desired target compound was synthesized under reaction conditions analogously to the process

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eee110a1897842ce9ed06e48cbd4a7b6
来源数据集: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08318769B2
来源说明: uspto-grants-2012_11

反应 SMILES

[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([S:10]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][C@H:14]2[CH2:19][O:20][CH2:21][C:22]([OH:24])=O)(=[O:12])=[O:11])=[C:5]([CH3:25])[CH:4]=1.[N:26]1([CH2:31][CH2:32][O:33][C:34]2([C:47]3[CH:48]=[N:49][CH:50]=[CH:51][CH:52]=3)[CH2:39][CH2:38][N:37](C(OC(C)(C)C)=O)[CH2:36][CH2:35]2)[CH:30]=[N:29][CH:28]=[N:27]1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH3:25])[C:6]([S:10]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][C@H:14]2[CH2:19][O:20][CH2:21][C:22]([N:37]2[CH2:38][CH2:39][C:34]([C:47]3[CH:48]=[N:49][CH:50]=[CH:51][CH:52]=3)([O:33][CH2:32][CH2:31][N:26]3[CH:30]=[N:29][CH:28]=[N:27]3)[CH2:35][CH2:36]2)=[O:24])(=[O:12])=[O:11])=[C:7]([CH3:9])[CH:8]=1