HRID323325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6395

Methanesulfonic acid

CH4O3S

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCCOc4ccc(F)cc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC

HCID9853679

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4CCCOc4ccc(F)cc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC.CS(=O)(=O)O

HCID22009283

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-(3-(4-fluorophenoxy)propyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl)pyrrolidine (0.70 g, 0.91 mmol), methanesulfonic acid (0.19 g), and ethyl acetate (25 mL) and stir at ambient temperature to give a solid. Collect the solid by filtration and dry in vacuo at 82° C. to give the title compound: mp; 155-165° C. Elemental Analysis calculated for C43H48F3N5O5.2 CH3SO3H.1.8 H2O: C 54.27; H 6.03; N 7.03; Found: C 54.40; H 5.87; N 7.06.

WORKUP

后处理

customto give a solid
customCollect the solid
filtrationby filtration
customdry in vacuo at 82° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c95043ef6a34e62b85424f0b1d7715f
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:50]=[C:51]([O:55][CH3:56])[C:52]=1[O:53][CH3:54])[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][CH2:37][O:38][C:39]4[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=4)[C:33]4[CH:46]=[CH:47][CH:48]=[CH:49][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].[CH3:57][S:58]([OH:61])(=[O:60])=[O:59]>C(OCC)(=O)C>[CH3:57][S:58]([OH:61])(=[O:60])=[O:59].[CH3:56][O:55][C:51]1[CH:50]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:52]=1[O:53][CH3:54])[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][CH2:37][O:38][C:39]4[CH:40]=[CH:41][C:42]([F:45])=[CH:43][CH:44]=4)[C:33]4[CH:46]=[CH:47][CH:48]=[CH:49][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]