HRID331468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID736527

4-(1H-Pyrazol-1-yl)benzoic acid

C10H8N2O2

结构：Cl.Cl.N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1

HCID178478710

未命名化合物

2 次

PRODUCTS

生成物

结构：O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(-n2cccn2)cc1

HCID178523596

未命名化合物

PROCEDURE

实验过程

The title compound, white solid (112 mg, 90%), MS (ISP) m/z=499.3 [(M+H)+], mp 258.5° C., was prepared in accordance with the general method of example 1 from trans-4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexylamine dihydrochloride (intermediate B) (100 mg, 0.25 mmol) and 4-pyrazol-1-yl-benzoic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bd1f6301ad64b75adba3d9ff08bd8ea
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08877778B2
来源说明: uspto-grants-2014_11

反应 SMILES

Cl.Cl.[O:3]1[C:7]2[CH:8]=[CH:9][CH:10]=[C:11]([CH:12]3[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][C@H:20]4[CH2:25][CH2:24][C@H:23]([NH2:26])[CH2:22][CH2:21]4)[CH2:14][CH2:13]3)[C:6]=2[CH2:5][CH2:4]1.[N:27]1([C:32]2[CH:40]=[CH:39][C:35]([C:36](O)=[O:37])=[CH:34][CH:33]=2)[CH:31]=[CH:30][CH:29]=[N:28]1>>[O:3]1[C:7]2[CH:8]=[CH:9][CH:10]=[C:11]([CH:12]3[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][C@H:20]4[CH2:21][CH2:22][C@H:23]([NH:26][C:36](=[O:37])[C:35]5[CH:34]=[CH:33][C:32]([N:27]6[CH:31]=[CH:30][CH:29]=[N:28]6)=[CH:40][CH:39]=5)[CH2:24][CH2:25]4)[CH2:14][CH2:13]3)[C:6]=2[CH2:5][CH2:4]1