HRID1214975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID19660

Carbonate

CO3-2

HCID23978

Copper

HCID24350

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

CuI

HCID68153

3-Pyridazinone

C4H4N2O

HCID66906121

未命名化合物

PRODUCTS

生成物

结构：O=c1cccnn1-c1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1

HCID66905721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91aa0bbee6f842b5b6686b138a83d47d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][NH:36][CH2:37][CH2:38][NH:39][CH3:40].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cu:41].[Cu:42][I:43].[K+:33].[K+:34].[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[n:22]1[nH:23][c:24](=[O:28])[cH:25][cH:26][cH:27]1>>[c:2]1(-[n:23]2[n:22][cH:27][cH:26][cH:25][c:24]2=[O:28])[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH:11]([N:14]4[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]4)[CH2:12][CH2:13]3)[s:8]2)[cH:20][cH:21]1