HRID119379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID12101

3-Ethylphenol

C8H10O

结构：CCCc1nc(CC)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460066

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)c(Oc2cccc(CC)c2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID57461025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2303c2548df4c94a80333393b8a54f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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