HRID109445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID140610

4'-Hydroxy[1,1'-biphenyl]-4-carbonitrile

C13H9NO

结构：CCOC(=O)C1(COS(=O)(=O)c2ccc(C)cc2)CCN(C(=O)c2ccc(OC)cc2)C1

HCID59322206

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(COc2ccc(-c3ccc(C#N)cc3)cc2)CCN(C(=O)c2ccc(OC)cc2)C1

HCID59322212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40d3a09bed504b4d908ad6a406124cb0
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:16](=[O:17])([O-:18])[O-:19].[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[C:27]1([CH2:42][O:43][S:44]([c:45]2[cH:46][cH:47][c:48]([CH3:49])[cH:50][cH:51]2)(=[O:52])=[O:53])[CH2:28][N:29]([C:32]([c:33]2[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)=[O:41])[CH2:30][CH2:31]1.[CH3:54][S:55]([CH3:56])=[O:57].[K+:20].[K+:21].[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[N:15])[cH:12][cH:13]2)[cH:6][cH:7]1)[CH2:42][C:27]1([C:25]([O:24][CH2:22][CH3:23])=[O:26])[CH2:28][N:29]([C:32]([c:33]2[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)=[O:41])[CH2:30][CH2:31]1