HRID307991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15623

Heliamine

C11H15NO2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

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

HCID10738259

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CCCN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID10744844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77da492f049e438192eca7d076be2ef0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[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.[Cl:1][CH2:2][CH2:3][CH2:4][C:5]([C:6]#[N:7])([c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[S:18][c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1.[ClH:34].[I-:33].[K+:30].[K+:31].[K+:32].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH2:2]([CH2:3][CH2:4][C:5]([C:6]#[N:7])([c:8]1[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][cH:13]1)[S:18][c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1)[N:42]1[CH2:41][CH2:40][c:39]2[cH:38][c:37]([O:36][CH3:35])[c:46]([O:47][CH3:48])[cH:45][c:44]2[CH2:43]1