HRID323329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6395

Methanesulfonic acid

CH4O3S

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCC#N)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC

HCID9809999

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCC#N)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC.CS(=O)(=O)O

HCID22009387

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

Combine 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-cyanoethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine (0.11 g, 0.16 mmol) and methanesulfonic acid (0.033 g, 0.34 mmol) in ethyl acetate (5 ml and stir. After 12 hours, add diethyl ether (100 mL) to give a solid. Decant and add diethyl ether. Collect the solid and dry in vacuo to give the title compound.

WORKUP

后处理

customto give a solid
customDecant
additionadd diethyl ether
customCollect the solid
customdry in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff0aa0fe06d4759adfb5b15e818cedd
来源数据集: uspto-grants-2001_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06211199B1
来源说明: uspto-grants-2001_04

反应 SMILES

[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:43]=[C:44]([O:48][CH3:49])[C:45]=1[O:46][CH3:47])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:28][CH2:27][CH:26]([NH:29][C:30]3[N:34]([CH2:35][CH2:36][C:37]#[N:38])[C:33]4[CH:39]=[CH:40][CH:41]=[CH:42][C:32]=4[N:31]=3)[CH2:25][CH2:24]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7].[CH3:50][S:51]([OH:54])(=[O:53])=[O:52].C(OCC)C>C(OCC)(=O)C>[CH3:50][S:51]([OH:54])(=[O:53])=[O:52].[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:43]=[C:44]([O:48][CH3:49])[C:45]=1[O:46][CH3:47])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([NH:29][C:30]3[N:34]([CH2:35][CH2:36][C:37]#[N:38])[C:33]4[CH:39]=[CH:40][CH:41]=[CH:42][C:32]=4[N:31]=3)[CH2:27][CH2:28]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7]