HRID1088758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10340

Carbonic acid sodium salt (1:2)

CNa2O3

HCID75994

1-Benzylpiperazine

C11H16N2

HCID149026

Tetrafluoro-m-phenylenediamine dihydrochloride

C6H6Cl2F4N2

结构：CC1=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c2N(C(=O)CCl)C1

HCID15101085

未命名化合物

PRODUCTS

生成物

结构：CC1=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c2N(C(=O)CN2CCN(Cc3ccccc3)CC2)C1.Cl.Cl

HCID131716668

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

A mixture of 3.4 g of 4-(chloroacetyl)4,5-dihydro-6-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 1.1 g of sodium carbonate, 1.7 g of N-benzylpiperazine and 115 ml of toluene was reacted as described in Example 16, giving the base form of the product which was converted to the dihydrochloride salt by the procedure of Example 97, giving 2.4 g, mp 204°-206° C.

WORKUP

后处理

customwas reacted
customgiving the base form of the product which
customgiving 2.4 g, mp 204°-206° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea407e3ea3e49649e43a0c4bd543d43
来源数据集: uspto-grants-1990_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04963553
来源说明: uspto-grants-1990_10

反应 SMILES

[Cl:1][CH2:2][C:3]([N:5]1[CH2:10][C:9]([CH3:11])=[C:8]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=2)[N:7]2[N:22]=[CH:23][C:24]([C:25]#[N:26])=[C:6]12)=[O:4].C(=O)([O-])[O-].[Na+].[Na+].[CH2:33]([N:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1)[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.C1(N)C(F)=C(F)C(F)=C(N)C=1F.[ClH:58].Cl>C1(C)C=CC=CC=1>[ClH:1].[ClH:58].[CH3:11][C:9]1[CH2:10][N:5]([C:3](=[O:4])[CH2:2][N:43]2[CH2:44][CH2:45][N:40]([CH2:33][C:34]3[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=3)[CH2:41][CH2:42]2)[C:6]2[N:7]([N:22]=[CH:23][C:24]=2[C:25]#[N:26])[C:8]=1[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=1