HRID1353168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

结构：Cc1cccc(CO[C@@H]2CCC[C@H](OCCNCCCc3ccccc3)C2)c1C(=O)O

HCID58864590

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CO[C@@H]2CCC[C@H](OCCN(CCCc3ccccc3)C(=O)Nc3ccccc3)C2)c1C(=O)O

HCID10053130

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

160 mg of 2-methyl-6-{(1R,3S)-3-[2-(3-phenylpropylamino)ethoxy]cyclohexyloxymethyl}benzoic acid are dissolved in 2 ml of dimethylformamide, and 0.1 ml of phenyl isocyanate is added. After 30 minutes, the reaction mixture is purified by RP-HPLC. This gives 54 mg of 2-{(1R,3S)-3-[2-(1-[3-phenylpropyl]-3-phenylureido)ethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid as a white lyophilizate. C33H40N2O5 (544.70), MS(ESI): 545 (M+H+).

WORKUP

后处理

customthe reaction mixture is purified by RP-HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81aded93eafb4e5da99836a983abf4fb
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07220876B2
来源说明: uspto-grants-2007_05

反应 SMILES

[CH3:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([CH2:11][O:12][C@@H:13]2[CH2:18][CH2:17][CH2:16][C@H:15]([O:19][CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[CH2:14]2)[C:3]=1[C:4]([OH:6])=[O:5].[C:32]1([N:38]=[C:39]=[O:40])[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>CN(C)C=O>[C:26]1([CH2:25][CH2:24][CH2:23][N:22]([CH2:21][CH2:20][O:19][C@H:15]2[CH2:16][CH2:17][CH2:18][C@@H:13]([O:12][CH2:11][C:7]3[CH:8]=[CH:9][CH:10]=[C:2]([CH3:1])[C:3]=3[C:4]([OH:6])=[O:5])[CH2:14]2)[C:39]([NH:38][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[O:40])[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1