HRID1208176

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

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID17750237

[3-Chloro-5-(trifluoromethyl)phenyl]boronic acid

C7H5BClF3O2

HCID58127672

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(Cc2nc(-c3cc(Cl)cc(C(F)(F)F)c3)sc2C)c1

HCID66939532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab3388fb04840a8b8507ae273daea74
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[s:3][c:4]([CH3:18])[c:5]([CH2:7][n:8]2[n:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]2)[n:6]1.[CH2:40]([OH:41])[CH3:42].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:19][c:20]1[cH:21][c:22]([B:30]([OH:31])[OH:32])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:39]>>[c:2]1(-[c:22]2[cH:21][c:20]([Cl:19])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]2)[s:3][c:4]([CH3:18])[c:5]([CH2:7][n:8]2[n:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]2)[n:6]1