HRID1553965

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

HCID22063

2-Thiophenecarboxamide

C5H5NOS

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID57487832

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(NC(=O)c3cccs3)nn(C(C)OCC)c2s1

HCID57487836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-079704c9cd544b07bacf3754b0eabc45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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