HRID112205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2737809

2-Aminocarbonylphenylboronic acid

C7H8BNO3

结构：CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1

HCID59809676

未命名化合物

PRODUCTS

生成物

结构：CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(-c2ccccc2C(N)=O)cc1)c1ccc(Cl)c(Cl)c1

HCID46941202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d146db0a3b84424684e7bee07d199a47
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:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[NH2:30][C:31](=[O:32])[c:33]1[c:34]([B:39]([OH:40])[OH:41])[cH:35][cH:36][cH:37][cH:38]1.[Na+:46].[Na+:47].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59]>>[c:2]1(-[c:34]2[c:33]([C:31]([NH2:30])=[O:32])[cH:38][cH:37][cH:36][cH:35]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1