HRID116611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID693282

2-Amino-4-bromopyridine

C5H5BrN2

结构：NC(=O)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1

HCID66863795

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(NC(=O)c2cc3cc(C(F)(F)F)cnc3n2Cc2cccc(F)c2)ccn1

HCID66863300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20f12746ecb54a8bba1ebc057c7ee188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH:39]1([NH2:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH:45]1[NH2:46].[Cu:47]([I:48])[I:49].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[n:9]([CH2:15][c:16]1[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]1)[c:10]([C:12](=[O:13])[NH2:14])[cH:11]2)([F:23])[F:24].[K+:37].[K+:38].[NH2:25][c:26]1[n:27][cH:28][cH:29][c:30]([Br:32])[cH:31]1.[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[n:9]([CH2:15][c:16]1[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]1)[c:10]([C:12](=[O:13])[NH:14][c:30]1[cH:29][cH:28][n:27][c:26]([NH2:25])[cH:31]1)[cH:11]2)([F:23])[F:24]