HRID1987762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID22729017

未命名化合物

HCID23118309

未命名化合物

结构：CC1=C2OC(C)(C(=O)O)CC2C(C)C([N+](=O)[O-])=C1C

HCID68844454

未命名化合物

PRODUCTS

生成物

结构：CC1=C2OC(C)(NC(=O)N3CCN(c4ccc(-c5ccn[nH]5)cc4)CC3)CC2C(C)C([N+](=O)[O-])=C1C

HCID68845480

未命名化合物

收率 90.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

To 0.38 g of 1-(4-1H-pyrazol-5-ylphenyl)-piperazine and 0.4 g of 2,4,6,7-tetramethyl-5-nitrodihydrobenzofuran-2-carboxylic acid, 0.35 g of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, 0.25 g of 1-hydroxybenzotriazole hydrochloride and 0.19 g of triethylamine were added, followed by stirring at room temperature for 24 hours. The reaction solution was poured into water and the precipitated crystal was removed by filtration and washed with water, and then the resulting crystal was dried to obtain 0.65 g of the objective compound.

WORKUP

后处理

customthe precipitated crystal was removed by filtration
washwashed with water
customthe resulting crystal was dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41996fa04e8343d4bc13a543273b67dc
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07553837B2
来源说明: uspto-grants-2009_06

反应 SMILES

[NH:1]1[C:5]([C:6]2[CH:11]=[CH:10][C:9]([N:12]3[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]3)=[CH:8][CH:7]=2)=[CH:4][CH:3]=[N:2]1.C[C:19]1([C:34](O)=O)[CH2:23][CH:22]2[CH:24]([CH3:33])[C:25]([N+:30]([O-:32])=[O:31])=[C:26]([CH3:29])[C:27]([CH3:28])=[C:21]2[O:20]1.Cl.C[N:39]([CH3:48])CCCN=C=NCC.Cl.[OH:50]N1C2C=CC=CC=2N=N1>O.C(N(CC)CC)C>[N+:30]([C:25]1[CH:24]([CH3:33])[CH:22]2[CH2:23][C:19]([NH:39][C:48]([N:15]3[CH2:16][CH2:17][N:12]([C:9]4[CH:8]=[CH:7][C:6]([C:5]5[NH:1][N:2]=[CH:3][CH:4]=5)=[CH:11][CH:10]=4)[CH2:13][CH2:14]3)=[O:50])([CH3:34])[O:20][C:21]2=[C:27]([CH3:28])[C:26]=1[CH3:29])([O-:32])=[O:31]