HRID683934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID104727

Aluminum Cation

Al+3

HCID850941

6-Methoxy-2-(4-methoxyphenyl)benzo(b)thiophene

C16H14O2S

HCID21990972

3-Cyano-4-methoxybenzoic acid

C9H7NO3

PRODUCTS

生成物

结构：COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OC)c(C#N)c2)cc1

HCID18461152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92078deb838744b9bc036e5e112b6523
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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