HRID3802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID69695

Benzene, 1-isocyanato-2-methoxy-

C8H7NO2

HCID13731118

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(O)=[SH]CCCN1CCN(C(Cl)c2ccccc2)CC1.COc1ccccc1NC(O)=[SH]CCCN1CCN(C(Cl)c2ccccc2)CC1.Cl.Cl.Cl.Cl.O.O.O

HCID178418560

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 1.3 g of 2-methoxyphenyl isocyanate, 3.0 g of 3-[4-(4-chlorobenzyl)piperazin--yl]propanethiol dihydrochloride, 0.9 g of triethylamine and 50 ml of methylene chloride, to give 0.9 g (20% of theory) of N-(2-methoxyphenyl)-S-{3-[4-(chlorobenzyl)piperazin-1-yl]propyl}thiocarbamate dihydrochloride sesquihydrate as an off-white crystalline solid, M.p. 238°-240° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf45e59bdef54089b629c31b7412880d
来源数据集: uspto-grants-1988_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04722926
来源说明: uspto-grants-1988_02

反应 SMILES

[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]=[C:10]=[O:11].[ClH:12].Cl.[Cl:14][C:15]1[CH:31]=[CH:30][C:18]([CH2:19][N:20]2[CH2:25][CH2:24][N:23]([CH2:26][CH2:27][CH2:28][SH:29])[CH2:22][CH2:21]2)=[CH:17][CH:16]=1.C(N(CC)CC)C>C(Cl)Cl>[OH2:2].[ClH:14].[ClH:12].[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10](=[SH:29][CH2:28][CH2:27][CH2:26][N:23]1[CH2:24][CH2:25][N:20]([CH:19]([Cl:12])[C:18]2[CH:30]=[CH:31][CH:15]=[CH:16][CH:17]=2)[CH2:21][CH2:22]1)[OH:11].[OH2:2].[OH2:2].[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10](=[SH:29][CH2:28][CH2:27][CH2:26][N:23]1[CH2:24][CH2:25][N:20]([CH:19]([Cl:12])[C:18]2[CH:30]=[CH:31][CH:15]=[CH:16][CH:17]=2)[CH2:21][CH2:22]1)[OH:11].[ClH:14].[ClH:14]