HRID257583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8374

2-Chlorobenzoic acid

C7H5ClO2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

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

C9H16N2

HCID3386966

Imidazolate

C3H3N2-

结构：CCCCNC(=O)c1ccc(C(F)(F)F)c(-n2nc(CCCC)c(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)c2C#N)c1

HCID19783218

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)c1ccc(C(F)(F)F)c(-n2nc(CCCC)c(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2C#N)c1

HCID19783190

未命名化合物

PROCEDURE

实验过程

Following the procedure of Example 1, Step H, 2-chlorobenzoic acid is converted to its imidazolide with CDI and subsequently reacted with 3-n-butyl-1-[5-(N-n-butylcarbamoyl)-2-(trifluoromethyl)phenyl]-4-[(3-fluoro-2'-sulfamoylbiphenyl-4-yl)methyl]-1H-pyrazole-5-carbonitrile (from Step L) in the presence of DBU to yield the title compound.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ca51f1c90dc45f3949b6968cd1f9fe3
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.C1N=CN(C(N2C=NC=C2)=O)C=1.[CH2:28]([C:32]1[C:36]([CH2:37][C:38]2[CH:43]=[CH:42][C:41]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][C:45]=3[S:50](=[O:53])(=[O:52])[NH2:51])=[CH:40][C:39]=2[F:54])=[C:35]([C:55]#[N:56])[N:34]([C:57]2[CH:62]=[C:61]([C:63](=[O:69])[NH:64][CH2:65][CH2:66][CH2:67][CH3:68])[CH:60]=[CH:59][C:58]=2[C:70]([F:73])([F:72])[F:71])[N:33]=1)[CH2:29][CH2:30][CH3:31].C1CCN2C(=NCCC2)CC1>>[CH2:28]([C:32]1[C:36]([CH2:37][C:38]2[CH:43]=[CH:42][C:41]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][C:45]=3[S:50](=[O:52])(=[O:53])[NH:51][C:4](=[O:6])[C:3]3[CH:7]=[CH:8][CH:9]=[CH:10][C:2]=3[Cl:1])=[CH:40][C:39]=2[F:54])=[C:35]([C:55]#[N:56])[N:34]([C:57]2[CH:62]=[C:61]([C:63](=[O:69])[NH:64][CH2:65][CH2:66][CH2:67][CH3:68])[CH:60]=[CH:59][C:58]=2[C:70]([F:72])([F:71])[F:73])[N:33]=1)[CH2:29][CH2:30][CH3:31]