HRID949682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID12721171

3-(Methylsulfanyl)benzaldehyde

C8H8OS

HCID22048350

未命名化合物

HCID71363001

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(C#N)cnc(C(=O)c3cccc(SC)c3)c2cc1OC

HCID22048385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b767bb2c42764dc9acf02eb9388899f3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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