HRID169025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID2734089

2-(2-Bromophenyl)ethanol

C8H9BrO

HCID3280088

未命名化合物

结构：COc1ccccc1-c1ccc2c(c1)C(C(C)OS(C)(=O)=O)=CC(C)(C)N2C(=O)OC(C)(C)C

HCID20760335

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1Br)=CC(C)(C)N2C(=O)OC(C)(C)C

HCID69152812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0590a8a1abd24fc2869980644c41df81
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

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