HRID257586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8374

2-Chlorobenzoic acid

C7H5ClO2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3386966

Imidazolate

C3H3N2-

结构：CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C#N)c1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F

HCID19783170

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C#N)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

HCID19783193

未命名化合物

PROCEDURE

实验过程

By the method of Example 1, Step H, 2-chlorobenzoic acid is converted to its imidazolide and reacted with 3-n-butyl-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1-[5-nitro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbonitrile (from Step B) in the presence of DBU to give the title compound.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-895d241d23a044e7a9f08856d0d408e9
来源数据集: uspto-grants-1993_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05262412
来源说明: uspto-grants-1993_11

反应 SMILES

[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[N-]1C=CN=C1.[CH2:16]([C:20]1[C:24]([CH2:25][C:26]2[CH:31]=[CH:30][C:29]([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=3[S:38](=[O:41])(=[O:40])[NH2:39])=[CH:28][C:27]=2[F:42])=[C:23]([C:43]#[N:44])[N:22]([C:45]2[CH:50]=[C:49]([N+:51]([O-:53])=[O:52])[CH:48]=[CH:47][C:46]=2[C:54]([F:57])([F:56])[F:55])[N:21]=1)[CH2:17][CH2:18][CH3:19].C1CCN2C(=NCCC2)CC1>>[CH2:16]([C:20]1[C:24]([CH2:25][C:26]2[CH:31]=[CH:30][C:29]([C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=3[S:38](=[O:40])(=[O:41])[NH:39][C:4](=[O:6])[C:3]3[CH:7]=[CH:8][CH:9]=[CH:10][C:2]=3[Cl:1])=[CH:28][C:27]=2[F:42])=[C:23]([C:43]#[N:44])[N:22]([C:45]2[CH:50]=[C:49]([N+:51]([O-:53])=[O:52])[CH:48]=[CH:47][C:46]=2[C:54]([F:56])([F:55])[F:57])[N:21]=1)[CH2:17][CH2:18][CH3:19]