HRID2335165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1048

Pyrazole

C3H4N2

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

结构：CS(=O)(=O)c1ccc(I)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID59793691

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2cccn2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID68842692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5285e318799948498c95e261790d1034
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:35](=[O:36])([O-:37])[O-:38].[Cu:49][I:50].[I:1][c:2]1[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1.[K+:39].[K+:40].[NH2:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH:47]1[NH2:48].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[nH:30]1[n:31][cH:32][cH:33][cH:34]1>>[c:2]1(-[n:30]2[n:31][cH:32][cH:33][cH:34]2)[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1