HRID1410527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID735833

(2E)-3-(2-Fluorophenyl)-2-propenoic acid

C9H7FO2

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/c2ccccc2F)CC1

HCID57344297

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-2-fluoro-cinnamic acid, by the method of Example 1, step K, giving a solid that was a mixture of cyclohexyl diastereomers by LCMS. Mass spectrum (LCMS, ESI pos.) calcd. for C30H35FN4O2: 502 (M+H). Found: 503

WORKUP

后处理

customgiving a solid
additiona mixture of cyclohexyl diastereomers by LCMS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab0c2fecfda34e119ec9a11ed2427ae5
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]1[CH:40]=[CH:39][CH:38]=[CH:37][C:31]=1/[CH:32]=[CH:33]/[C:34](O)=[O:35]>>[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:34](=[O:35])/[CH:33]=[CH:32]/[C:31]4[CH:37]=[CH:38][CH:39]=[CH:40][C:30]=4[F:29])[CH2:27][CH2:28]3)[C:20]([NH2:22])=[O:21])[CH2:14][CH2:13]2)=[CH:4]1