HRID1250394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18377865

未命名化合物

结构：CC(=O)O.CC(=O)[O-].C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1

HCID69779712

未命名化合物

PRODUCTS

生成物

结构：C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F

HCID86757719

未命名化合物

收率 100%

PROCEDURE

实验过程

[4-({[1-(3-Amidino-benzyl)-5-fluoro-1H-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium acetate acetic acid salt (32/2) was dissolved in water/ethanol/trifluoroacetic acid 1:1:0.1. The product was separated by flash chromatography on RP18 material with water/ethanol/trifluoroacetic acid 1:1:0.1 to give the trifluoroacetic acid salt in 100% yield. M.p.120-124° C. MS: 458.2 (M+).

WORKUP

后处理

customThe product was separated by flash chromatography on RP18 material with water/ethanol/trifluoroacetic acid 1:1:0.1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a28cd31aafa94a24b75f7ce4e5251f9a
来源数据集: uspto-grants-2002_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06337344B1
来源说明: uspto-grants-2002_01

反应 SMILES

C(O)(=O)C.C([O-])(=O)C.[C:9]([C:12]1[CH:13]=[C:14]([CH:40]=[CH:41][CH:42]=1)[CH2:15][N:16]1[C:24]2[C:19](=[CH:20][C:21]([F:25])=[CH:22][CH:23]=2)[CH:18]=[C:17]1[C:26]([NH:28][CH2:29][C:30]1[CH:35]=[CH:34][C:33]([N+:36]([CH3:39])([CH3:38])[CH3:37])=[CH:32][CH:31]=1)=[O:27])(=[NH:11])[NH2:10].O.C(O)C.[F:47][C:48]([F:53])([F:52])[C:49]([OH:51])=[O:50]>>[F:47][C:48]([F:53])([F:52])[C:49]([OH:51])=[O:50].[F:47][C:48]([F:53])([F:52])[C:49]([O-:51])=[O:50].[C:9]([C:12]1[CH:13]=[C:14]([CH:40]=[CH:41][CH:42]=1)[CH2:15][N:16]1[C:24]2[C:19](=[CH:20][C:21]([F:25])=[CH:22][CH:23]=2)[CH:18]=[C:17]1[C:26]([NH:28][CH2:29][C:30]1[CH:35]=[CH:34][C:33]([N+:36]([CH3:37])([CH3:38])[CH3:39])=[CH:32][CH:31]=1)=[O:27])(=[NH:10])[NH2:11]