HRID863873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15623

Heliamine

C11H15NO2

结构：COc1ccc(C(C#N)(CCCCCCl)Sc2ccc(C)cc2)cc1OC

HCID10573255

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID9829281

未命名化合物

收率 56.9%

PROCEDURE

实验过程

The procedure of Example 3 is repeated using 4.65 g of α-(5-chloropentyl)-3,4-dimethoxy-α-[(4-methylphenyl)thio]benzeneacetonitrile and 4.25 g of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline. This affords 3.67 g of the desired product as a light brown gum. MS(Hi res): m/z Calcd for C33H40N2O4S 0.5H2O 560.2209 Found 561.2287(M+H). Calcd for C33H40N2O4S 0.5H2O: C=69.77, H=7.17, N=4.58, S=5.33 Found C=69.56, H=7.25, N=4.92, S=5.63

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77da74771374ea19ad13f79e432b7b0
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][C:21]1[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH: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].[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>>[CH3:19][O:18][C:12]1[CH:11]=[C:10]([C:7]([S:20][C:21]2[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH:22]=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])[CH:15]=[CH:14][C:13]=1[O:16][CH3:17]