HRID120550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7478

4-Anisic acid

C8H8O3

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID104727

Aluminum Cation

Al+3

HCID850941

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

C16H14O2S

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3cc(OC)ccc23)cc1

HCID9953060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a618ed8ea87643f68dfebe708c0ba90f
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

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