HRID214156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID4137391

2-(4-methoxyphenyl)benzothiophene

C15H12OS

HCID6504228

4-(2-Pyrrolidin-1-yl-ethoxy)-benzoic acid

C13H17NO3

PRODUCTS

生成物

结构：COc1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN3CCCC3)cc2)cc1

HCID9804162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0bbc620f6a41c8adb37ccc0ed02902
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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