HRID688297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID8900

Heptane

C7H16

HCID4574913

未命名化合物

HCID9855653

Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate

C9H14N2O2

HCID18002320

(5-Ethyl-2-phenyl-2H-1,2,3-triazol-4-yl)acetonitrile

C12H12N4

PRODUCTS

生成物

结构：CCc1nn(-c2ccccc2)nc1C(C#N)C(=O)c1c(C)c(C)nn1C

HCID66781255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-538fa0a4ff434413a3277d94bf739db6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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