HRID1558021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

结构：O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1

HCID283893

4-Nitrobenzil

C14H9NO4

结构：C#Cc1cccc(-c2cc(S(=O)(=O)[O-])ccc2C)c1

HCID22754644

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)c1

HCID20403370

1-[4-(3-Ethynylphenoxy)phenyl]-2-phenylethane-1,2-dione

C22H14O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c370e820e838451284af6f28c5ffb37e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[CH:2])[c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11]([S:12]([O-:13])(=[O:14])=[O:15])[cH:16][cH:17][c:18]2[CH3:19])[cH:6][cH:7][cH:8]1.[CH3:43][S:44]([CH3:45])=[O:46].[CH3:48][OH:49].[K+:21].[N+:22]([O-:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([C:31](=[O:32])[C:33](=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:29][cH:30]1.[Na+:42].[OH-:20].[OH-:41].[OH2:47]>>[C:1](#[CH:2])[c:3]1[cH:4][c:5]([O:20][c:25]2[cH:26][cH:27][c:28]([C:31](=[O:32])[C:33](=[O:34])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:29][cH:30]2)[cH:6][cH:7][cH:8]1