HRID683141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8070

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

C4H12N2

HCID24350

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

CuI

HCID228088

1-bromo-4-isopropoxybenzene

C9H11BrO

结构：CCOC(=O)c1cc2cc(-c3ccc(OC(C)C)nc3)ccc2[nH]1

HCID68699460

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(-c3ccc(OC(C)C)nc3)ccc2n1-c1ccc(OC(C)C)cc1

HCID68698234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0bdd056b3604932b297d31aa57d14d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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