HRID2190609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53921663

未命名化合物

结构：O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)CC2)cc1

HCID59317983

未命名化合物

结构：O=C(Nc1ccc(C(F)(F)F)cc1F)c1ccc(Cl)nc1

HCID59318076

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4F)cn3)CC2)cc1

HCID67376485

未命名化合物

PROCEDURE

实验过程

4-{4-[5-(2-Fluoro-4-trifluoromethyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid was prepared from 4-piperazin-1-yl-benzoic acid benzyl ester and 6-chloro-N-(2-fluoro-4-trifluoromethyl-phenyl)-nicotinamide with a method similar to the one described in the synthesis of 4-[4-(5-phenylcarbamoyl-pyridin-2-yl)-piperazin-1-yl]-benzoic acid above. HRMS m/z calcd for C24H20N4O3F4 [M+H]+: 489.1545. Found: 489.1543.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3063218005f948428ed11ac3088fb101
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08324385B2
来源说明: uspto-grants-2012_12

反应 SMILES

C([O:8][C:9](=[O:22])[C:10]1[CH:15]=[CH:14][C:13]([N:16]2[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]2)=[CH:12][CH:11]=1)C1C=CC=CC=1.Cl[C:24]1[CH:43]=[CH:42][C:27]([C:28]([NH:30][C:31]2[CH:36]=[CH:35][C:34]([C:37]([F:40])([F:39])[F:38])=[CH:33][C:32]=2[F:41])=[O:29])=[CH:26][N:25]=1.C1(NC(C2C=CC(N3CCN(C4C=CC(C(O)=O)=CC=4)CC3)=NC=2)=O)C=CC=CC=1>>[F:41][C:32]1[CH:33]=[C:34]([C:37]([F:40])([F:39])[F:38])[CH:35]=[CH:36][C:31]=1[NH:30][C:28]([C:27]1[CH:42]=[CH:43][C:24]([N:19]2[CH2:18][CH2:17][N:16]([C:13]3[CH:12]=[CH:11][C:10]([C:9]([OH:8])=[O:22])=[CH:15][CH:14]=3)[CH2:21][CH2:20]2)=[N:25][CH:26]=1)=[O:29]