HRID83836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25134

Boron tribromide

BBr3

结构：COc1cc(C(C)(C)c2cnc(SCc3c(F)cc(S(=O)(=O)NCCC[N+](C)(C)C)cc3F)n2-c2ccc(F)cc2)ccc1Cl.O=C([O-])C(F)(F)F

HCID86702230

未命名化合物

PRODUCTS

生成物

结构：CC(C)(c1ccc(Cl)c(O)c1)c1cnc(SCc2c(F)cc(S(=O)(=O)NCCC[N+](C)(C)C)cc2F)n1-c1ccc(F)cc1.O=C([O-])C(F)(F)F

HCID86702228

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The title compound was prepared by treating 3-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)-N,N,N-trimethylpropan-1-aminium 2,2,2-trifluoroacetate with boron tribromide in DCM, followed by standard workup and then purified by preparative HPLC. MS (EI) m/z 667.4 (M+).

WORKUP

后处理

custompurified by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-367cd2da4f7741ae8857b4f9f0aef196
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846739B2
来源说明: uspto-grants-2014_09

反应 SMILES

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