HRID49936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6213

Dimethyl sulfone

C2H6O2S

HCID3084509

Chloroformamidinium chloride

CH4Cl2N2

结构：COC(=O)C(=Cc1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2ccc(N)cc2)c1)NC(C)=O.O=C(O)C(F)(F)F

HCID69142761

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=Cc1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2ccc(NC(=N)N)cc2)c1)NC(C)=O.O=C(O)C(F)(F)F

HCID178499878

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

CONDITIONS

反应条件

温度: 120 °C

PROCEDURE

实验过程

A mixture of 340 mg (0.52 mmol) of methyl 2-acetamido-3-[2-[(2R)-2-[[3-(4-aminophenyl)benzoyl]amino]-4-benzyloxycarbonylbutoxy]-4-cyanophenyl]acrylate trifluoroacetate, 430 mg (3.74 mmol) of chloroformamidine hydrochloride and 2.0 g of dimethyl sulfone was stirred at 120° C. for 2 hours. Water was added to the reaction mixture. After washing with ethyl acetate, the aqueous layer was freeze-dried and purified by the reversed phase HPLC in the same manner as that in step 5 in Example 1 to obtain the title compound.

WORKUP

后处理

washAfter washing with ethyl acetate
customthe aqueous layer was freeze-dried
custompurified by the reversed phase HPLC in the same manner as that in step 5 in Example 1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08fbdee52c4a49f6a3a13adebffe294a
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06710056B2
来源说明: uspto-grants-2004_03

反应 SMILES

[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[C:8]([NH:11][C:12](=[CH:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]#[N:25])=[CH:20][C:19]=1[O:26][CH2:27][C@H:28]([NH:41][C:42](=[O:56])[C:43]1[CH:48]=[CH:47][CH:46]=[C:45]([C:49]2[CH:54]=[CH:53][C:52]([NH2:55])=[CH:51][CH:50]=2)[CH:44]=1)[CH2:29][CH2:30][C:31]([O:33][CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:32])[C:13]([O:15][CH3:16])=[O:14])(=[O:10])[CH3:9].Cl.Cl[C:59]([NH2:61])=[NH:60].CS(C)(=O)=O>O>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[C:8]([NH:11][C:12](=[CH:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]#[N:25])=[CH:20][C:19]=1[O:26][CH2:27][C@H:28]([NH:41][C:42](=[O:56])[C:43]1[CH:48]=[CH:47][CH:46]=[C:45]([C:49]2[CH:54]=[CH:53][C:52]([NH:55][C:59]([NH2:61])=[NH:60])=[CH:51][CH:50]=2)[CH:44]=1)[CH2:29][CH2:30][C:31]([O:33][CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:32])[C:13]([O:15][CH3:16])=[O:14])(=[O:10])[CH3:9]