HRID1202436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID97115

Pyrazole, 3,5-dimethyl-4-iodo-

C5H7IN2

结构：CCN(CC)C(=O)c1ccc(C(Cl)c2cccc(OC)c2)cc1

HCID9996827

4-[Chloro(3-methoxyphenyl)methyl]-N,N-diethylbenzamide

C19H22ClNO2

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)n2nc(C)c(I)c2C)cc1

HCID22285739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ec0577019644d46922fa308ee5ca342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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