HRID319809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID938

Nicotinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COC(=O)C(CCSC)NC(=O)c1ccc(N)cc1-c1ccccc1

HCID23436016

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(NC(=O)c2cccnc2)cc1-c1ccccc1

HCID23436018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1eea46c7eae48c199cbde7290807949
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:16][O:17][C:18]([CH:19]([NH:20][C:21]([c:22]1[c:23](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:24][c:25]([NH2:28])[cH:26][cH:27]1)=[O:35])[CH2:36][CH2:37][S:38][CH3:39])=[O:40].[Cl:10][C:11]([C:12]([Cl:13])=[O:14])=[O:15].[Cl:46][CH2:47][Cl:48].[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:28][c:25]1[cH:24][c:23](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:22]([C:21]([NH:20][CH:19]([C:18]([O:17][CH3:16])=[O:40])[CH2:36][CH2:37][S:38][CH3:39])=[O:35])[cH:27][cH:26]1