HRID2132661

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)ccc2n1Cc1cccc(F)c1

HCID66863596

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(NC(=O)c2cc3cc(C(F)(F)F)ccc3n2Cc2cccc(F)c2)ccn1

HCID66863244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53ab901123e141caae618f4ffc132ea0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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[cH:6][c:7]([C:20](=[O:21])[NH2:22])[n:8]([CH2:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:9]2[cH:10][cH:11]1)([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[cH:6][c:7]([C:20](=[O:21])[NH:22][c:30]3[cH:29][cH:28][n:27][c:26]([NH2:25])[cH:31]3)[n:8]([CH2:12][c:13]3[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]3)[c:9]2[cH:10][cH:11]1)([F:23])[F:24]