HRID121243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15738

Pentane, 3-bromo-

C5H11Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

结构：O=C1CCC(c2cccc(Cl)c2)C(c2ccc(Cl)cn2)N1

HCID67999331

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)N1C(=O)CCC(c2cccc(Cl)c2)C1c1ccc(Cl)cn1

HCID76834404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8294953d48f6480490d91305b92f67ab
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

[Br:22][CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[Cl-:35].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH2:10][C:11](=[O:21])[NH:12][CH:13]2[c:14]2[n:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[H-:28].[I-:37].[Na+:29].[Na+:34].[Na+:36].[O-:30][C:31]([OH:32])=[O:33].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH2:10][C:11](=[O:21])[N:12]([CH:23]([CH2:24][CH3:25])[CH2:26][CH3:27])[CH:13]2[c:14]2[n:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1