HRID3836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79443

Benzene, 1-isocyanato-4-methoxy-

C8H7NO2

HCID13731129

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(O)=[SH]CCCN2CCN(CCCc3ccc(Cl)cc3)CC2)cc1.COc1ccc(NC(O)=[SH]CCCN2CCN(CCCc3ccc(Cl)cc3)CC2)cc1.Cl.Cl.Cl.Cl.O

HCID178418524

未命名化合物

收率 146.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID5378701

Methyl, chloro-

CH2Cl

PROCEDURE

实验过程

The procedure described in Example 35 was followed, using 2.0 g of 4-methoxyphenyl isocyanate, 4.0 g of 3-{4-[3-(4-chlorophenyl)propyl]piperazin-1-yl}propanethiol and 100 ml of methylene chlorine to give 3.4 g (48% of theory) of N-(4-methoxyphenyl)-S-{3-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]propyl}thiocarbamate dihydrochloride hemihydrate as a white crystalline solid, M.p. 240°-244° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0346a80a37094debaa473c96709fc5a5
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][C:6]([N:9]=[C:10]=[O:11])=[CH:5][CH:4]=1.[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][N:25]([CH2:28][CH2:29][CH2:30][SH:31])[CH2:24][CH2:23]2)=[CH:15][CH:14]=1>C=Cl>[OH2:2].[ClH:12].[ClH:12].[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[SH:31][CH2:30][CH2:29][CH2:28][N:25]2[CH2:26][CH2:27][N:22]([CH2:21][CH2:20][CH2:19][C:16]3[CH:17]=[CH:18][C:13]([Cl:12])=[CH:14][CH:15]=3)[CH2:23][CH2:24]2)[OH:11])=[CH:7][CH:8]=1.[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[SH:31][CH2:30][CH2:29][CH2:28][N:25]2[CH2:26][CH2:27][N:22]([CH2:21][CH2:20][CH2:19][C:16]3[CH:17]=[CH:18][C:13]([Cl:12])=[CH:14][CH:15]=3)[CH2:23][CH2:24]2)[OH:11])=[CH:7][CH:8]=1.[ClH:12].[ClH:12]