HRID307339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12208

1,4-Diiodobenzene

C6H4I2

HCID24350

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

CuI

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1

HCID49759115

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(I)cc2)CC1

HCID68843177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4484443f31d9471d8318c8badd42ee16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:40][NH:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH:47]1[NH:48][CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cu:56][I:57].[I:32][c:33]1[cH:34][cH:35][c:36]([I:39])[cH:37][cH:38]1.[K+:29].[K+:30].[K+:31].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[nH:1]1[cH:2][cH:3][c:4]2[c:5]([O:10][CH:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[cH:6][cH:7][cH:8][c:9]12>>[n:1]1(-[c:36]2[cH:35][cH:34][c:33]([I:32])[cH:38][cH:37]2)[cH:2][cH:3][c:4]2[c:5]([O:10][CH:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[cH:6][cH:7][cH:8][c:9]12