HRID228111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O

HCID7018791

Boc-4-chloro-D-phenylalanine

C14H18ClNO4

HCID28749556

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

HCID69071519

未命名化合物

PROCEDURE

实验过程

[2-(4-{(2R)-2-[(tert-Butoxy)carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide was prepared according to the procedure described in Preparation V by using N,N-dimethyl(2-piperazinylphenyl)carboxamide (Step 3) (260 mg, 1.1 mmol), Boc-p-Cl-D-Phe-OH (Peptech Corporation) (370 mg, 1.2 mmol), HOAT (Aldrich) (151 mg, 1.11 mmol), and EDC (Aldrich Chemical Company) (430 mg, 2.2 mmol). The compound was isolated as a crude white foam (480 mg) and used in the next step without further purification. MS (ESI, pos. ion) m/z: 515 (M+H). Calc'd for C27H35ClN4O4: 515.04.

WORKUP

后处理

customdescribed in Preparation V

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e68e18ddfaa47409b4d18a133f8ef00
来源数据集: uspto-grants-2009_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07560460B2
来源说明: uspto-grants-2009_07

反应 SMILES

[CH3:1][N:2]([CH3:17])[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[N:11]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1)=[O:4].[NH:18]([C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[C@@H:19]([C:28](O)=[O:29])[CH2:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=1.C1C=NC2N(O)N=NC=2C=1.C(Cl)CCl>>[C:34]([O:33][C:31]([NH:18][C@H:19]([CH2:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=1)[C:28]([N:14]1[CH2:15][CH2:16][N:11]([C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[C:3]([N:2]([CH3:17])[CH3:1])=[O:4])[CH2:12][CH2:13]1)=[O:29])=[O:32])([CH3:37])([CH3:35])[CH3:36]