HRID124481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID36336

1,4,7,10,13-Pentaoxacyclopentadecane

C10H20O5

HCID166653

Hydride

H-

HCID3804414

4-Chloro-3-fluorophenylacetonitrile

C8H5ClFN

HCID11230235

tert-Butyl bis(2-chloroethyl)carbamate

C9H17Cl2NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)c(F)c2)CC1

HCID66618032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d8c6d81cd5a4550b10e1120ef06ed99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:14]1[O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][O:27][CH2:28]1.[Cl-:45].[Cl:31][CH2:32][CH2:33][N:34]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:42][CH2:43][Cl:44].[Cl:3][c:4]1[c:5]([F:13])[cH:6][c:7]([CH2:10][C:11]#[N:12])[cH:8][cH:9]1.[H-:2].[I-:29].[NH4+:46].[Na+:1].[Na+:30].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[Cl:3][c:4]1[c:5]([F:13])[cH:6][c:7]([C:10]2([C:11]#[N:12])[CH2:32][CH2:33][N:34]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:42][CH2:43]2)[cH:8][cH:9]1