HRID159339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID126

p-Hydroxybenzaldehyde

C7H6O2

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)Nc1ccc(CCOS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1

HCID54535442

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(CCOc2ccc(C=O)cc2)cc1

HCID21704970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e494307cd644381926c18f4f6689188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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