HRID174506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499735

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c2357f1205b4e65839bd8bc754af03a
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:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([S:29]([NH2:30])(=[O:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1)=[O:33].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[cH:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([S:29]([NH:30][C:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)=[O:41])(=[O:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1)=[O:33]