HRID1169150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC(C)(C(=O)O)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1.O.O

HCID9937786

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C(=O)OC(=O)C(C)(C)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1

HCID86759179

未命名化合物

收率 90.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

In 500 mL of ethanol, 3.20 g (5.67 mmol) of the 2-[6-[3-[4-(diphenylmethoxy)piperidino]propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropionic acid dihydrate obtained in Example 135A was dissolved under heating, followed by concentrating at atomospheric pressure until the total volume became 250 mL. After standing at room temperature, the crystals formed were collected by filtration, washed with ethanol and dried to yield 2.67 g of the title compound.

WORKUP

后处理

temperatureunder heating
concentrationby concentrating at atomospheric pressure until the total volume
customAfter standing at room temperature
customthe crystals formed
filtrationwere collected by filtration
washwashed with ethanol
customdried

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95fa5a7e476d49df95001093df57e5dd
来源数据集: uspto-grants-2003_09
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US06627630B1
来源说明: uspto-grants-2003_09

反应SMILES

[OH2:1].[OH2:2].[C:3]1([CH:9]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[O:10][CH:11]2[CH2:16][CH2:15][N:14]([CH2:17][CH2:18][CH2:19][NH:20][C:21]3[CH:22]=[CH:23][C:24]4[N:25]([CH:27]=[C:28]([C:30]([CH3:35])([CH3:34])[C:31]([OH:33])=[O:32])[N:29]=4)[N:26]=3)[CH2:13][CH2:12]2)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>C(O)C>[C:36]1([CH:9]([C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=2)[O:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][NH:20][C:21]3[CH:22]=[CH:23][C:24]4[N:25]([CH:27]=[C:28]([C:30]([CH3:35])([CH3:34])[C:31]([O:33][C:34](=[O:2])[C:30]([CH3:35])([C:28]5[N:29]=[C:24]6[CH:23]=[CH:22][C:21]([NH:20][CH2:19][CH2:18][CH2:17][N:14]7[CH2:15][CH2:16][CH:11]([O:1][CH:9]([C:36]8[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=8)[C:3]8[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=8)[CH2:12][CH2:13]7)=[N:26][N:25]6[CH:27]=5)[CH3:31])=[O:32])[N:29]=4)[N:26]=3)[CH2:15][CH2:16]2)[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1