HRID119043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID59184699

2-[4-(Chloromethyl)-2-pyridinyl]-1H-isoindole-1,3(2H)-dione

C14H9ClN2O2

结构：Cc1cc(C=CC#N)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID66705390

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C=CC#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(N3C(=O)c4ccccc4C3=O)c2)c1

HCID66705530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab77564a9bda476d8546f5eb9f4935e0
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

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