HRID293399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID97249

Benzonitrile, 3-(bromomethyl)-

C8H6BrN

HCID166653

Hydride

H-

HCID10858665

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1csc(-c2cc3cc(OCc4cccc(C#N)c4)ccc3o2)n1

HCID19092707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f19e4a3c6ad94a15879eaa978a95109e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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