HRID110628

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

HCID82315

1-(p-Hydroxyphenyl)imidazole

C9H8N2O

结构：COC(=O)c1ccccc1COc1ccc(CCOS(C)(=O)=O)cc1

HCID86601923

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1COc1ccc(CCOc2ccc(-n3ccnc3)cc2)cc1

HCID68869830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dcd9e48c0a04901931eba19749af8ca
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:38](=[O:39])([O-:40])[O-:41].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][c:14]2[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25]1.[CH3:44][C:45]#[N:46].[K+:42].[K+:43].[n:26]1(-[c:31]2[cH:32][cH:33][c:34]([OH:37])[cH:35][cH:36]2)[cH:27][n:28][cH:29][cH:30]1>>[O:5]([CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][c:14]2[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25]1)[c:34]1[cH:33][cH:32][c:31](-[n:26]2[cH:27][n:28][cH:29][cH:30]2)[cH:36][cH:35]1