HRID684345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID2244

Aspirin

C9H8O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID58508624

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccccc1C(=O)Nc1cc(CCc2ccccc2)ccc1C(=O)OC(C)(C)C

HCID67341697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07ab5d01d2414e5f8574d022a29f0e43
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])[OH:45].[C:7]([CH3:8])(=[O:9])[O:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18][cH:19]1.[CH2:54]([Cl:55])[Cl:56].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:20][c:21]1[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][c:32]([CH2:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:33]1.[Na+:46]>>[C:7]([CH3:8])(=[O:9])[O:10][c:11]1[c:12]([C:13](=[O:15])[NH:20][c:21]2[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31][c:32]([CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:33]2)[cH:16][cH:17][cH:18][cH:19]1