HRID1893304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2775295

4-Methoxy-3-(trifluoromethyl)benzoic acid

C9H7F3O3

结构：NCC(=O)NC1CN(C2CCC(c3ccccc3)CC2)C1.O=C(O)C(F)(F)F

HCID86646681

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)cc1C(F)(F)F

HCID49763223

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as a white solid from EDCI coupling of 2-amino-N-[1-(4-phenyl-cyclohexyl)-azetidin-3-yl]-acetamide TFA salt (as prepared in Step D of Example 66) and 4-methoxy-3-trifluoromethyl-benzoic acid (Aldrich) using the procedure described in Step F of Example 1.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a7d989be0954aab8f24864860b53d78
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08513229B2
来源说明: uspto-grants-2013_08

反应 SMILES

CCN=C=NCCCN(C)C.OC(C(F)(F)F)=O.[NH2:19][CH2:20][C:21]([NH:23][CH:24]1[CH2:27][N:26]([CH:28]2[CH2:33][CH2:32][CH:31]([C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=3)[CH2:30][CH2:29]2)[CH2:25]1)=[O:22].[CH3:40][O:41][C:42]1[CH:50]=[CH:49][C:45]([C:46](O)=[O:47])=[CH:44][C:43]=1[C:51]([F:54])([F:53])[F:52]>>[CH3:40][O:41][C:42]1[CH:50]=[CH:49][C:45]([C:46]([NH:19][CH2:20][C:21](=[O:22])[NH:23][CH:24]2[CH2:27][N:26]([CH:28]3[CH2:33][CH2:32][CH:31]([C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=4)[CH2:30][CH2:29]3)[CH2:25]2)=[O:47])=[CH:44][C:43]=1[C:51]([F:52])([F:53])[F:54]