HRID1206510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：COC(=O)c1c(Br)sc(Br)c1NC(=O)OCc1ccccc1

HCID58191482

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(-c2ccc(Cl)cc2)sc(Br)c1NC(=O)OCc1ccccc1

HCID58191687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4d790ef3f004ec8820a0cac9546a852
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[c:13]([C:19](=[O:20])[O:21][CH3:22])[c:14]([Br:18])[s:15][c:16]1[Br:17].[CH2:47]([OH:48])[CH3:49].[Cl:23][c:24]1[cH:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:46].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[c:13]([C:19](=[O:20])[O:21][CH3:22])[c:14](-[c:27]2[cH:26][cH:25][c:24]([Cl:23])[cH:29][cH:28]2)[s:15][c:16]1[Br:17]