HRID2324391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID13091118

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C(CNCc1ccccc1)Cc1ccccc1

HCID20827598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74285d9c59dd49c49b1a3bae7ca587d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([N:17]([CH3:18])[CH:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27][OH:28])=[O:29].[C:51]([BH3-:52])#[N:53].[CH2:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37])[CH3:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:55][CH2:56][Cl:57].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:54]>>[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([N:17]([CH3:18])[CH:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27][NH:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:29]