HRID531513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69846924

未命名化合物

结构：COc1ccc(COCCCOc2ccc(-c3cnc4c(c3)c(-c3c(C)nn(Cc5cccc(F)c5)c3C)cn4S(=O)(=O)c3ccc(C)cc3)cc2NS(C)(=O)=O)cc1

HCID118523947

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(OCCCO)c(NS(C)(=O)=O)c4)cnc32)cc1

HCID118523951

未命名化合物

PROCEDURE

实验过程

A stirred solution of N-(5-(3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(3-((4-methoxybenzyl)oxy)prop oxy)phenyl)methanesulfonamide (120 mg, 0.1 mmol), TFA/toluene (169 mg/3 mL) was heated to 80° C. for overnight. TLC showed reaction completion. Reaction mass was cooled to RT and solvents evaporated under reduced pressure. This afforded 60 mg of the crude titled compound. MS: m/z=718.2 (M+1).

WORKUP

后处理

customreaction completion
customReaction mass
customsolvents evaporated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca072f9746464ad6b4fc6be289004937
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

[F:1][C:2]1[CH:3]=[C:4]([CH:57]=[CH:58][CH:59]=1)[CH2:5][N:6]1[C:10]([CH3:11])=[C:9]([C:12]2[C:20]3[C:15](=[N:16][CH:17]=[C:18]([C:21]4[CH:22]=[CH:23][C:24]([O:32][CH2:33][CH2:34][CH2:35][O:36]CC5C=CC(OC)=CC=5)=[C:25]([NH:27][S:28]([CH3:31])(=[O:30])=[O:29])[CH:26]=4)[CH:19]=3)[N:14]([S:46]([C:49]3[CH:55]=[CH:54][C:52]([CH3:53])=[CH:51][CH:50]=3)(=[O:48])=[O:47])[CH:13]=2)[C:8]([CH3:56])=[N:7]1.C(O)(C(F)(F)F)=O.C1(C)C=CC=CC=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:57]=[CH:58][CH:59]=1)[CH2:5][N:6]1[C:10]([CH3:11])=[C:9]([C:12]2[C:20]3[C:15](=[N:16][CH:17]=[C:18]([C:21]4[CH:22]=[CH:23][C:24]([O:32][CH2:33][CH2:34][CH2:35][OH:36])=[C:25]([NH:27][S:28]([CH3:31])(=[O:29])=[O:30])[CH:26]=4)[CH:19]=3)[N:14]([S:46]([C:49]3[CH:50]=[CH:51][C:52]([CH3:53])=[CH:54][CH:55]=3)(=[O:47])=[O:48])[CH:13]=2)[C:8]([CH3:56])=[N:7]1