HRID92636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID19363290

3-Methoxy-2-(pentyloxy)benzaldehyde

C13H18O3

结构：Cc1nc2sccn2c(=O)c1-c1ccc(OC(F)(F)F)cc1

HCID66753265

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1c(C=Cc2nc3sccn3c(=O)c2-c2ccc(OC(F)(F)F)cc2)cccc1OC

HCID66753587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eda5e14c974f445a98bd559e385139a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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