HRID161627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

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

HCID78344

Pyrimidine, 5-bromo-

C4H3BrN2

结构：CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

HCID11603838

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cncnc2)CC1

HCID16739594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-973d172c5b104b018a90662d03972b37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:30][c:31]1[cH:32][n:33][cH:34][n:35][cH:36]1.[C:45](=[O:46])([O-:47])[O-:48].[Cu:57][I:58].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[K+:49].[K+:50].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:31]3[cH:32][n:33][cH:34][n:35][cH:36]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1