HRID1130457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID11460745

7-chloro-2-(4-formylphenyl)thieno[3,2-b]pyridine-6-carbonitrile

C15H7ClN2OS

PRODUCTS

生成物

结构：CN(C)Cc1ccc(-c2cc3ncc(C#N)c(Cl)c3s2)cc1

HCID11198213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97eeac9cda504be0bb93747f66bd48e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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