HRID938367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID12269

Benzene, 1-chloro-3-iodo-

C6H4ClI

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID66999986

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn(-c2cccc(Cl)c2)c(=O)c1-c1ccc2nc(N)ncc2c1

HCID25068780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-598f0ff6ebc04c6a9cb555d8acd097e0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[Cl:28][c:29]1[cH:30][c:31]([I:35])[cH:32][cH:33][cH:34]1.[Cu:42][I:43].[K+:25].[K+:26].[K+:27].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:12]3[c:13](=[O:19])[nH:14][cH:15][cH:16][c:17]3[CH3:18])[cH:8][c:9]2[cH:10][n:11]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[P:20]([O-:21])([O-:22])([O-:23])=[O:24]>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:12]3[c:13](=[O:19])[n:14](-[c:31]4[cH:30][c:29]([Cl:28])[cH:34][cH:33][cH:32]4)[cH:15][cH:16][c:17]3[CH3:18])[cH:8][c:9]2[cH:10][n:11]1