HRID2381137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CS(=O)(=O)N1CCN(CCCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1

HCID46892044

未命名化合物

结构：CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

HCID59149828

未命名化合物

结构：Oc1ccc(C2(O)CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

HCID66788703

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1

HCID46892435

未命名化合物

PROCEDURE

实验过程

The 4-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]phenyl]-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol used as starting material was obtained in 55% yield by an analogous method to Example 36, preparation of starting materials, starting from 4-(4-hydroxyphenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol and 2-(4-acetylpiperazine-1-yl)ethanol (obtained as described in PCT Int. Appl. WO2003064413, Example 28, preparation of starting materials).

WORKUP

后处理

customwas obtained in 55% yield by an analogous method to Example 36, preparation of starting materials

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b65482f0a064866bc8b5c0922dd6d6b
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08258140B2
来源说明: uspto-grants-2012_09

反应 SMILES

[C:1]([N:4]1[CH2:9][CH2:8][N:7]([CH2:10][CH2:11][O:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]3([OH:38])[CH2:24][CH2:23][N:22]([C:25]4[CH:26]=[CH:27][C:28]5[N:29]([C:31]([C:34]([F:37])([F:36])[F:35])=[N:32][N:33]=5)[N:30]=4)[CH2:21][CH2:20]3)=[CH:15][CH:14]=2)[CH2:6][CH2:5]1)(=[O:3])[CH3:2].OC1C=CC(C2(O)CCN(C3C=CC4N(C(C(F)(F)F)=NN=4)N=3)CC2)=CC=1.CS(N1CCN(CCCOC2C=CC(C3CCN(C4CCC5N(C(C(F)(F)F)=NN=5)N=4)CC3)=CC=2)CC1)(=O)=O>>[C:1]([N:4]1[CH2:9][CH2:8][N:7]([CH2:10][CH2:11][O:12][C:13]2[CH:14]=[CH:15][C:16]([C:19]3([OH:38])[CH2:24][CH2:23][N:22]([C:25]4[CH2:26][CH2:27][C:28]5[N:29]([C:31]([C:34]([F:36])([F:37])[F:35])=[N:32][N:33]=5)[N:30]=4)[CH2:21][CH2:20]3)=[CH:17][CH:18]=2)[CH2:6][CH2:5]1)(=[O:3])[CH3:2]