HRID36296

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

结构：CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(N)(=O)=O)cc1F

HCID19939471

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

HCID10078800

未命名化合物

收率 56%

PROCEDURE

实验过程

Reaction of 2-[5-(acetylamino)-2-chlorophenyl]-5-n-butyl-2,4-dihydro-4-[(3-fluoro-5'-n-propyl-2'-sulfamoylbiphenyl-4-yl)methyl]-3H-1,2,4-triazol-3-one (from Step E) with 2-chlorobenzoic acid (2 equivalents), CDI (2 equiv), and DBU (2 equiv) according to the procedure of Example 69 gave a 56% yield of the title compound as a white, glassy solid, mp 144°-146° C.; homogeneous by TLC (95:5 CH2Cl2 --MeOH); mass spectrum (FAB) m/e 752 (M+1)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7b666d145f24557bca2ca0b401c377a
来源数据集: uspto-grants-1995_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05411980
来源说明: uspto-grants-1995_05

反应 SMILES

[C:1]([NH:4][C:5]1[CH:6]=[CH:7][C:8]([Cl:42])=[C:9]([N:11]2[C:15](=[O:16])[N:14]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([C:24]4[CH:29]=[C:28]([CH2:30][CH2:31][CH3:32])[CH:27]=[CH:26][C:25]=4[S:33](=[O:36])(=[O:35])[NH2:34])=[CH:20][C:19]=3[F:37])[C:13]([CH2:38][CH2:39][CH2:40][CH3:41])=[N:12]2)[CH:10]=1)(=[O:3])[CH3:2].[Cl:43][C:44]1[CH:52]=[CH:51][CH:50]=[CH:49][C:45]=1[C:46](O)=[O:47].C1N=CN(C(N2C=NC=C2)=O)C=1.C1CCN2C(=NCCC2)CC1>>[C:1]([NH:4][C:5]1[CH:6]=[CH:7][C:8]([Cl:42])=[C:9]([N:11]2[C:15](=[O:16])[N:14]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([C:24]4[CH:29]=[C:28]([CH2:30][CH2:31][CH3:32])[CH:27]=[CH:26][C:25]=4[S:33](=[O:36])(=[O:35])[NH:34][C:46](=[O:47])[C:45]4[CH:49]=[CH:50][CH:51]=[CH:52][C:44]=4[Cl:43])=[CH:20][C:19]=3[F:37])[C:13]([CH2:38][CH2:39][CH2:40][CH3:41])=[N:12]2)[CH:10]=1)(=[O:3])[CH3:2]