HRID531540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3c(C)nn(Cc4cccc(F)c4)c3C)c3cc(-c4ccc(N5CCN(CCOCc6ccccc6)CC5)cc4)cnc32)cc1

HCID90033534

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3c(C)nn(Cc4cccc(F)c4)c3C)c3cc(-c4ccc(N5CCN(CCO)CC5)cc4)cnc32)cc1

HCID90031339

未命名化合物

收率 157.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID69846924

未命名化合物

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

5-(4-(4-(2-(benzyloxy)ethyl)piperazin-1-yl)phenyl)-3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine (150 mg, 0.195 mmol) was dissolved in trifluoroacetic acid/toluene (5/5 ml) and heated to 70° C. for overnight. Solvents evaporated off to yield 208 mg of the crude titled compound.

WORKUP

后处理

customSolvents evaporated off

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b4d98dc7c46473fa245c0ae7f9b27eb
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09353107B2
来源说明: uspto-grants-2016_05

反应 SMILES

C([O:8][CH2:9][CH2:10][N:11]1[CH2:16][CH2:15][N:14]([C:17]2[CH:22]=[CH:21][C:20]([C:23]3[CH:24]=[C:25]4[C:31]([C:32]5[C:33]([CH3:46])=[N:34][N:35]([CH2:38][C:39]6[CH:44]=[CH:43][CH:42]=[C:41]([F:45])[CH:40]=6)[C:36]=5[CH3:37])=[CH:30][N:29]([S:47]([C:50]5[CH:56]=[CH:55][C:53]([CH3:54])=[CH:52][CH:51]=5)(=[O:49])=[O:48])[C:26]4=[N:27][CH:28]=3)=[CH:19][CH:18]=2)[CH2:13][CH2:12]1)C1C=CC=CC=1>FC(F)(F)C(O)=O.C1(C)C=CC=CC=1>[F:45][C:41]1[CH:40]=[C:39]([CH:44]=[CH:43][CH:42]=1)[CH2:38][N:35]1[C:36]([CH3:37])=[C:32]([C:31]2[C:25]3[C:26](=[N:27][CH:28]=[C:23]([C:20]4[CH:21]=[CH:22][C:17]([N:14]5[CH2:13][CH2:12][N:11]([CH2:10][CH2:9][OH:8])[CH2:16][CH2:15]5)=[CH:18][CH:19]=4)[CH:24]=3)[N:29]([S:47]([C:50]3[CH:51]=[CH:52][C:53]([CH3:54])=[CH:55][CH:56]=3)(=[O:48])=[O:49])[CH:30]=2)[C:33]([CH3:46])=[N:34]1