HRID2152676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1048

Pyrazole

C3H4N2

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID21984070

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1CCCOC

HCID21984281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01a0e74d2304490298c63165f8bf73b6
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

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