HRID1238218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID88737

Heptanenitrile, 7-bromo-

C7H12BrN

结构：O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

HCID628544

1,4,5-Triphenyl-1,3-dihydro-2H-imidazol-2-one

C21H16N2O

PRODUCTS

生成物

结构：N#CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O

HCID22916372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-129a0cda06f0421f88c18c0b27de4b90
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:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32]#[N:33].[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][C:41](=[O:42])[CH2:43][CH3:44].[K+:38].[K+:39].[c:1]1(-[n:7]2[c:8](=[O:24])[nH:9][c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[c:8](=[O:24])[n:9]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32]#[N:33])[c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1