HRID1225729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773539

2-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

反应SMILES：CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)OC(C)(C)C

HCID13007803

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1NC(=O)OC(C)(C)C

HCID57935002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f29438cde9d8481180ca1257894f0afe
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

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