HRID2311032

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

HCID12595096

未命名化合物

结构：CC(C)(C)OC(=O)N1C(C=Cc2ccc(I)cc2)COC1(C)C

HCID67151624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C=Cc2ccc(N3CCc4c(ccc(Cl)c4Cl)C3=O)cc2)COC1(C)C

HCID67151849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d87a0f39709a48009bdc61a21aa5adf5
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:22])([CH3:23])[O:10][CH2:11][CH:12]1[CH:13]=[CH:14][c:15]1[cH:16][cH:17][c:18]([I:21])[cH:19][cH:20]1.[CH3:37][NH:38][CH2:39][CH2:40][NH:41][CH3:42].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:24][c:25]1[c:26]2[c:31]([cH:32][cH:33][c:34]1[Cl:35])[C:30](=[O:36])[NH:29][CH2:28][CH2:27]2.[Cu:58][I:59].[K+:48].[K+:49].[K+:50].[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:22])([CH3:23])[O:10][CH2:11][CH:12]1[CH:13]=[CH:14][c:15]1[cH:16][cH:17][c:18]([N:29]2[CH2:28][CH2:27][c:26]3[c:25]([Cl:24])[c:34]([Cl:35])[cH:33][cH:32][c:31]3[C:30]2=[O:36])[cH:19][cH:20]1