HRID1221453

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734372

5-Methylfuran-2-boronic acid

C5H7BO3

结构：COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1

HCID69196739

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1

HCID69164290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ed2495747347e8b83b2e15d9af4864
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:26][CH3:27])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:25])[NH:21][CH:22]([CH3:24])[CH2:23]3)[cH:17]2)[cH:6][cH:7]1.[CH3:34][c:35]1[cH:36][cH:37][c:38]([B:40]([OH:41])[OH:42])[o:39]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:49]>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH3:34])[o:39]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([O:26][CH3:27])[cH:14][cH:15][c:16]([N:18]3[CH2:19][CH:20]([CH3:25])[NH:21][CH:22]([CH3:24])[CH2:23]3)[cH:17]2)[cH:6][cH:7]1