HRID863871

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)(CCCCCCCCCCCBr)Sc2ccc(C)cc2)cc1OC

HCID10673824

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCCCCCCCCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID10675684

未命名化合物

收率 57.9%

PROCEDURE

实验过程

The procedure of Example 3 is repeated using 3.14 g of α-(11-bromoundecyl)-3,4-dimethoxy-α-[(4-methylphenyl)thio]benzeneacetonitrile and 2.03 g of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride. This affords 2.2 g of the desired product as a light yellow oil. MS(Hi res): m/z Calcd for C39H52N2O4S 644.3648 Found 645.3730(M+H). Calcd for C39H52N2O4S 1/2H2O: C=71.63, H=8.17, N=4.29, S=4.90 Found C=71.31, H=8.19, N=4.10, S=4.71

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ec51b6bce54acda72e20f80f28c344
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

Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([S:26][C:27]1[CH:32]=[CH:31][C:30]([CH3:33])=[CH:29][CH:28]=1)([C:16]1[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH3:25])[CH:17]=1)[C:14]#[N:15].Cl.[CH3:35][O:36][C:37]1[CH:38]=[C:39]2[C:44](=[CH:45][C:46]=1[O:47][CH3:48])[CH2:43][NH:42][CH2:41][CH2:40]2>>[CH3:25][O:24][C:18]1[CH:17]=[C:16]([C:13]([S:26][C:27]2[CH:32]=[CH:31][C:30]([CH3:33])=[CH:29][CH:28]=2)([CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][N:42]2[CH2:41][CH2:40][C:39]3[C:44](=[CH:45][C:46]([O:47][CH3:48])=[C:37]([O:36][CH3:35])[CH:38]=3)[CH2:43]2)[C:14]#[N:15])[CH:21]=[CH:20][C:19]=1[O:22][CH3:23]