HRID687000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1ccc(S(=O)(=O)n2nc(C)c(CCOS(C)(=O)=O)c2C)cc1

HCID57899282

未命名化合物

HCID67158156

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CCCN2CCc2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2C)cc1

HCID67159200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4b997c800f74db38446afd2074197c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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