HRID2417380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9938

1,2-Dihydronaphthalene

C10H10

HCID38284

3-Phenoxybenzaldehyde

C13H10O2

HCID122765

Benzamidine, p-amino-, monohydrochloride

C7H10ClN3

结构：O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[In+3]

HCID2734680

Indium(III) trifluoromethanesulfonate

C3F9InO9S3

PRODUCTS

生成物

结构：N=C(N)c1ccc2c(c1)NC(c1cccc(Oc3ccccc3)c1)C1CCc3ccccc3C21

HCID10225554

未命名化合物

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

4-amino-benzamidine mono HCl salt (17.2 mg, 0.1 mmole) was suspended in acetonitrile (1 mL). The suspension was treated with 3-phenoxybenzaldehyde (19.8 mg, 0.1 mmole) and 1,2-dihydronapthalene(13.0 mg, 0.1 mmole). Indium triflate (11 mg, 0.02 mmole) was added and the reaction was heated at 70° C. for 48 hours. The desired products were purified using reverse phase HPLC. Mass spectrum: 446 (M+1).

WORKUP

后处理

customThe desired products were purified

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5900143dfdb3467a85055df15d696c4d
来源数据集: uspto-grants-2004_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06825208B2
来源说明: uspto-grants-2004_11

反应 SMILES

Cl.N[C:3]1[CH:11]=[CH:10][C:6]([C:7]([NH2:9])=[NH:8])=[CH:5][CH:4]=1.[O:12]([C:19]1[CH:20]=[C:21]([CH:24]=[CH:25][CH:26]=1)[CH:22]=O)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[CH2:27]1[C:36]2[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=2)[CH:30]=[CH:29][CH2:28]1.[O-]S(C(F)(F)F)(=O)=O.[In+3].[O-]S(C(F)(F)F)(=O)=O.[O-]S(C(F)(F)F)(=O)=O.C(#[N:64])C>>[O:12]([C:19]1[CH:20]=[C:21]([CH:22]2[CH:33]3[CH:32]([C:31]4[CH:30]=[CH:29][CH:28]=[CH:27][C:36]=4[CH2:35][CH2:34]3)[C:3]3[CH:11]=[CH:10][C:6]([C:7]([NH2:9])=[NH:8])=[CH:5][C:4]=3[NH:64]2)[CH:24]=[CH:25][CH:26]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1