HRID210822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID12286

3-Bromopyridine

C5H4BrN

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID59636166

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(c2ccc3ncsc3c2)C(=O)N1c1cccnc1

HCID49872930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dc029a2ef2c438a9b0db9bc6093a800
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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