HRID1410530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID688070

(2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

结构：Cl.Cl.NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCNCC1

HCID67775194

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1

HCID57344299

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from the product of Example 1, step J, and trans-4-(trifluoromethyl)-cinnamic 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, ESI pos.) calcd. for C31H35F3N4O2: 553 (M+H). Found: 553

WORKUP

后处理

customgiving a solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d693aae969924f798ee922839b17a1bb
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

Cl.Cl.[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH:12]2[CH2:17][CH2:16][CH:15]([NH:18][CH:19]([CH:23]3[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]3)[C:20]([NH2:22])=[O:21])[CH2:14][CH2:13]2)=[CH:4]1.[F:29][C:30]([F:43])([F:42])[C:31]1[CH:41]=[CH:40][C:34](/[CH:35]=[CH:36]/[C:37](O)=[O:38])=[CH:33][CH:32]=1>>[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH:12]2[CH2:17][CH2:16][CH:15]([NH:18][CH:19]([CH:23]3[CH2:24][CH2:25][N:26]([C:37](=[O:38])/[CH:36]=[CH:35]/[C:34]4[CH:33]=[CH:32][C:31]([C:30]([F:42])([F:43])[F:29])=[CH:41][CH:40]=4)[CH2:27][CH2:28]3)[C:20]([NH2:22])=[O:21])[CH2:14][CH2:13]2)=[CH:4]1