HRID668512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID39356

Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-

C10H13NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10812203

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(CCCCCC(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2

HCID10673156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4d4bf2349454ab2aec8ad5aaf1f59be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([S:8][c:9]1[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]1)[c:16]1[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]1.[CH3:26][O:27][c:28]1[cH:29][c:30]2[c:35]([cH:36][cH:37]1)[CH2:34][NH:33][CH2:32][CH2:31]2.[CH3:49][C:50]#[N:51].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[I-:48].[Na+:47]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([S:8][c:9]1[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]1)[c:16]1[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[N:33]1[CH2:32][CH2:31][c:30]2[cH:29][c:28]([O:27][CH3:26])[cH:37][cH:36][c:35]2[CH2:34]1