HRID2114308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1048

Pyrazole

C3H4N2

HCID69110

Benzoyl chloride, 2-chloro-

C7H4Cl2O

结构：C[C@H](c1ccccc1)N(C)C(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

HCID178461679

未命名化合物

结构：O=C(Nc1[nH]nc(C(=O)NCCN2CCCC2)c1Br)c1ccccc1Cl

HCID178522629

未命名化合物

PRODUCTS

生成物

结构：CN1C[C@@H](NC(=O)c2nn(C)c(NC(=O)c3ccccc3Cl)c2Br)C(=O)N(C)c2ccccc21

HCID59773391

未命名化合物

PROCEDURE

实验过程

The pyrazole acid, prepared by coupling methyl ester 85 (Gen. Proc. 26) with 2-chlorobenzoyl chloride (21) followed by hydrolysis and bromination as shown in Gen. Proc. 8. was coupled to compound 92 (Procedure 27) using the method of Procedure 3.

WORKUP

后处理

customfollowed by hydrolysis and bromination

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f916f3bd86ef43c9848028e3ab5e0dd9
来源数据集: uspto-grants-2008_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07432379B2
来源说明: uspto-grants-2008_10

反应 SMILES

N1C=C[CH:3]=N1.[CH3:6][N:7]([C@@H:26]([C:28]1C=CC=C[CH:29]=1)C)[C:8](C1C(Br)=C(NC(=O)C2C=CC=CC=2Cl)NN=1)=[O:9].[Cl:34][C:35]1[CH:43]=[CH:42][CH:41]=[CH:40][C:36]=1[C:37](Cl)=[O:38].[N:44]1([CH2:49][CH2:50][NH:51][C:52]([C:54]2[C:58]([Br:59])=[C:57]([NH:60]C(=O)C3C=CC=CC=3Cl)[NH:56][N:55]=2)=[O:53])[CH2:48][CH2:47][CH2:46][CH2:45]1>>[CH3:6][N:7]1[C:8](=[O:9])[C@H:50]([NH:51][C:52]([C:54]2[C:58]([Br:59])=[C:57]([NH:60][C:37](=[O:38])[C:36]3[CH:40]=[CH:41][CH:42]=[CH:43][C:35]=3[Cl:34])[N:56]([CH3:3])[N:55]=2)=[O:53])[CH2:49][N:44]([CH3:45])[C:48]2[CH:47]=[CH:46][CH:29]=[CH:28][C:26]1=2