HRID1745036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

HCID93601

1-(3,4-Dichlorophenyl)piperazine

C10H12Cl2N2

结构：CC(C)(C)OC(=O)N1CC(=NOCc2ccccc2)C[C@H]1C(=O)O

HCID131725420

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(C(=O)N2CC(=NOCc3ccccc3)C[C@H]2C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1

HCID131725422

未命名化合物

PROCEDURE

实验过程

Following the general method as outlined in Example 22, starting from (2S,4EZ)-4-[(benzyloxy)imino]-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid, 4cyanobenzoyl chloride, and 1-(3,4-dichlorophenyl)piperazine the title compound was obtained in 43% purity by LC/MS. MS(ESI+): m/z=576.6.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e871dec8c2245fb8c6a64869ad722a8
来源数据集: uspto-grants-2006_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07018988B2
来源说明: uspto-grants-2006_03

反应 SMILES

[CH2:1]([O:8][N:9]=[C:10]1[CH2:14][N:13]([C:15]([O:17]C(C)(C)C)=O)[C@H:12]([C:22]([OH:24])=O)[CH2:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:25]([C:27]1[CH:35]=[CH:34][C:30](C(Cl)=O)=[CH:29][CH:28]=1)#[N:26].[Cl:36][C:37]1[CH:38]=[C:39]([N:44]2[CH2:49][CH2:48][NH:47][CH2:46][CH2:45]2)[CH:40]=[CH:41][C:42]=1[Cl:43]>>[CH2:1]([O:8][N:9]=[C:10]1[CH2:14][N:13]([C:15]([C:30]2[CH:29]=[CH:28][C:27]([C:25]#[N:26])=[CH:35][CH:34]=2)=[O:17])[C@H:12]([C:22]([N:47]2[CH2:46][CH2:45][N:44]([C:39]3[CH:40]=[CH:41][C:42]([Cl:43])=[C:37]([Cl:36])[CH:38]=3)[CH2:49][CH2:48]2)=[O:24])[CH2:11]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1