HRID490577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID2735875

1-(2-Cyanophenyl)piperazine

C11H13N3

结构：CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCC(Cl)(Cl)Cl)CC1C(=O)O

HCID67547735

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCC(Cl)(Cl)Cl)CC1C(=O)N1CCN(c2ccccc2C#N)CC1

HCID67546549

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

To a solution of 4-[(benzyl)-(2,2,2-trichloro-ethoxycarbonyl)-amino]-pyrrolidine-1,2-dicarboxylicacid 1-tert-butyl ester, HOBt, 1-(2-cyanophenyl)piperazine in DCM are added Et3N and EDC.HCl. The mixture is stirred overnight, then washed with citric acid, Na2CO3, brine, dried and concentrated to give 2-[4-(2-cyano-phenyl)-piperazine-1-carbonyl]-4-[(benzyl)-(2,2,2-trichloroethoxycarbonyl)-amino]-pyrrolidine-1-carboxylic acid tert-butyl ester (21)

WORKUP

后处理

washwashed with citric acid, Na2CO3, brine
customdried
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6768c854e9074a8aa0a36eb51283fdf3
来源数据集: uspto-grants-2009_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07528136B2
来源说明: uspto-grants-2009_05

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:12][CH:11]([N:13]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[C:14]([O:16][CH2:17][C:18]([Cl:21])([Cl:20])[Cl:19])=[O:15])[CH2:10][CH:9]1[C:29]([OH:31])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].C1C=CC2N(O)N=NC=2C=1.[C:42]([C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][C:45]=1[N:50]1[CH2:55][CH2:54][NH:53][CH2:52][CH2:51]1)#[N:43].CCN=C=NCCCN(C)C.Cl>C(Cl)Cl.CCN(CC)CC>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH:11]([N:13]([CH2:22][C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[C:14]([O:16][CH2:17][C:18]([Cl:19])([Cl:21])[Cl:20])=[O:15])[CH2:10][CH:9]1[C:29]([N:53]1[CH2:52][CH2:51][N:50]([C:45]2[CH:46]=[CH:47][CH:48]=[CH:49][C:44]=2[C:42]#[N:43])[CH2:55][CH2:54]1)=[O:31])=[O:7])([CH3:2])([CH3:4])[CH3:3]