HRID863895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6456035

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

C11H16ClNO2

结构：COc1ccc(C(C#N)(CCCCCCl)SC2CCCCC2)cc1OC

HCID11795020

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC

HCID10530747

未命名化合物

收率 66.3%

PROCEDURE

实验过程

The procedure of Example 3 is repeated using 2.7 g of α-(5-chloropentyl)-α-(cyclohexylthio)-3,4-dimethoxybenzeneacetonitrile and 2.53 g of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride. This affords 2.5 g of the desired product as a light yellow oil. MS(CI): m/z 553(MH+). Calcd for C32H44N2SO4 : C=69.53, H=8.02, N=5.07, S=5.80 Found C=69.39, H=8.26, N=4.78, S=5.50

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e57e79d25b8745fa8b3642e64d0d981d
来源数据集: uspto-grants-1996_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05561141
来源说明: uspto-grants-1996_10

反应 SMILES

Cl[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([S:20][CH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)([C:10]1[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[C:12]([O:18][CH3:19])[CH:11]=1)[C:8]#[N:9].Cl.[CH3:28][O:29][C:30]1[CH:31]=[C:32]2[C:37](=[CH:38][C:39]=1[O:40][CH3:41])[CH2:36][NH:35][CH2:34][CH2:33]2>>[CH:21]1([S:20][C:7]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[C:12]([O:18][CH3:19])[CH:11]=2)([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][N:35]2[CH2:34][CH2:33][C:32]3[C:37](=[CH:38][C:39]([O:40][CH3:41])=[C:30]([O:29][CH3:28])[CH:31]=3)[CH2:36]2)[C:8]#[N:9])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1