HRID104814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID6342

Acetonitrile

C2H3N

HCID13003

Pyrrolidine, 2-methyl-

C5H11N

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)OCCc2cc3cc(-c4ccc(C#N)cc4)ccc3o2)cc1

HCID11711405

2-[5-(4-cyanophenyl)-1-benzofuran-2-yl]ethyl 4-methylbenzenesulfonate

C24H19NO4S

PRODUCTS

生成物

结构：CC1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1

HCID9883980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3357278669154bea8d604dc20d9b0e5c
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

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