HRID1410537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5374941

未命名化合物

结构：COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCNCC1

HCID67774409

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1

HCID178501619

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from methyl 2-(4-(1H-indol-3-yl)cyclohexyl)amino)-2-(piperidin-4-yl)acetate (from Example 24, step A) and trans-3,5-difluorocinnamic acid, by the method of Example 1, step K, giving a solid that was mostly the more polar cyclohexyl diastereomer by LCMS. Mass spectrum (LCMS, APCI pos.) calcd. for C31H35F2N3O3: 536 (M+H). Found: 536.3.

WORKUP

后处理

customby the method of Example 1, step K, giving a solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef06bb5c15e40cf9cccf8e4c244993d
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08921559B2
来源说明: uspto-grants-2014_12

反应 SMILES

[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([CH:10]2[CH2:15][CH2:14][CH:13]([NH:16][CH:17]([CH:22]3[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]3)[C:18]([O:20][CH3:21])=[O:19])[CH2:12][CH2:11]2)=[CH:2]1.[F:28][C:29]1[CH:30]=[C:31]([CH:37]=[C:38]([F:40])[CH:39]=1)/[CH:32]=[CH:33]/[C:34](O)=[O:35]>>[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([C@H:10]2[CH2:15][CH2:14][C@H:13]([NH:16][CH:17]([CH:22]3[CH2:23][CH2:24][N:25]([C:34](=[O:35])/[CH:33]=[CH:32]/[C:31]4[CH:30]=[C:29]([F:28])[CH:39]=[C:38]([F:40])[CH:37]=4)[CH2:26][CH2:27]3)[C:18]([O:20][CH3:21])=[O:19])[CH2:12][CH2:11]2)=[CH:2]1