HRID1250393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

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

HCID18327608

未命名化合物

HCID23437676

未命名化合物

PRODUCTS

生成物

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

PROCEDURE

实验过程

This compound was prepared from [4-({[1-(3-cyano-benzyl)-5-fluoro-1H-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium iodide, hydrogen chloride, and liquid ammonia analogously to example 19/3. Instead of trifluoroacetic acid acetic acid was used for chromatography. Yield: 74%. M.p. 172° C. (dec.). MS: 458.2 (M+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f27051570b5c493a85a6260e159f7822
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

[I-].[C:2]([C:4]1[CH:5]=[C:6]([CH:32]=[CH:33][CH:34]=1)[CH2:7][N:8]1[C:16]2[C:11](=[CH:12][C:13]([F:17])=[CH:14][CH:15]=2)[CH:10]=[C:9]1[C:18]([NH:20][CH2:21][C:22]1[CH:27]=[CH:26][C:25]([N+:28]([CH3:31])([CH3:30])[CH3:29])=[CH:24][CH:23]=1)=[O:19])#[N:3].Cl.[NH3:36].[C:37]([OH:40])(=[O:39])[CH3:38].F[C:42](F)(F)[C:43]([OH:45])=[O:44]>>[C:37]([OH:40])(=[O:39])[CH3:38].[C:43]([O-:45])(=[O:44])[CH3:42].[C:2]([C:4]1[CH:5]=[C:6]([CH:32]=[CH:33][CH:34]=1)[CH2:7][N:8]1[C:16]2[C:11](=[CH:12][C:13]([F:17])=[CH:14][CH:15]=2)[CH:10]=[C:9]1[C:18]([NH:20][CH2:21][C:22]1[CH:23]=[CH:24][C:25]([N+:28]([CH3:30])([CH3:31])[CH3:29])=[CH:26][CH:27]=1)=[O:19])(=[NH:36])[NH2:3]