HRID2290866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

HCID8471

Triethylamine

C6H15N

HCID13731120

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CN2CCN(CCC[SH]=C(O)Nc3ccccc3)CC2)cc1.Cc1ccc(CN2CCN(CCC[SH]=C(O)Nc3ccccc3)CC2)cc1.Cl.Cl.Cl.Cl.O.O.O

HCID178418494

未命名化合物

收率 48.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The procedure described in Example 2 was followed, using 1.4 g of phenyl isocyanate, 4.0 g of 3-[4-(4-methylbenzyl)piperazin-1-yl]propanethiol dihydrochloride, 1.2 g of triethylamine and 50 ml of methylene chloride, to give 1.1 g (20% of theory) of N-phenyl-S-{3-[4-(4-methylbenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride sesquihydrate as a white crystalline solid, M.p. 255°-258° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2d6af9bb76e4d4c997f9b766ed99adf
来源数据集: uspto-grants-1986_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04618677
来源说明: uspto-grants-1986_10

反应 SMILES

[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:10].Cl.[CH3:12][C:13]1[CH:29]=[CH:28][C:16]([CH2:17][N:18]2[CH2:23][CH2:22][N:21]([CH2:24][CH2:25][CH2:26][SH:27])[CH2:20][CH2:19]2)=[CH:15][CH:14]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:9].[ClH:10].[ClH:10].[C:1]1([NH:7][C:8](=[SH:27][CH2:26][CH2:25][CH2:24][N:21]2[CH2:20][CH2:19][N:18]([CH2:17][C:16]3[CH:15]=[CH:14][C:13]([CH3:12])=[CH:29][CH:28]=3)[CH2:23][CH2:22]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH2:9].[OH2:9].[C:1]1([NH:7][C:8](=[SH:27][CH2:26][CH2:25][CH2:24][N:21]2[CH2:20][CH2:19][N:18]([CH2:17][C:16]3[CH:15]=[CH:14][C:13]([CH3:12])=[CH:29][CH:28]=3)[CH2:23][CH2:22]2)[OH:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:10].[ClH:10]