HRID188614

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)c(F)c1

HCID69196620

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)c(F)c1

HCID69195506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c19918a41504590bd3d8bbeb8c17e71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:28])[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.[CH3:35][c:36]1[cH:37][cH:38][c:39]([B:41]([OH:42])[OH:43])[o:40]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[OH2:56]>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([CH3:35])[o:40]2)[c:3]([F:28])[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