HRID1209986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID6212

Chloroform

CHCl3

HCID10786

未命名化合物

HCID13405

p-Toluoyl chloride

C8H7ClO

结构：COC(=O)CC(OC(=O)c1ccccc1C)C(O)COC(=O)c1ccccc1C

HCID178500935

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)OCC(O)C(CC(=O)Cl)OC(=O)c1ccccc1C

HCID178424298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-391df7263ef64ef7a963abe66719c15d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:21][O:22][C:23](=[O:24])[CH2:25][CH:26]([O:27][C:28](=[O:29])[c:30]1[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]1)[CH:37]([OH:38])[CH2:39][O:40][C:41](=[O:42])[c:43]1[c:44]([CH3:49])[cH:45][cH:46][cH:47][cH:48]1.[CH3:50][OH:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[CH:62]([Cl:63])([Cl:64])[Cl:65].[ClH:10].[O:1]=[CH:2][CH2:3][CH:4]([CH:5]([CH2:6][OH:7])[OH:8])[OH:9].[OH2:61].[c:11]1([CH3:12])[cH:13][cH:14][c:15]([C:16](=[O:17])[Cl:19])[cH:18][cH:20]1.[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1>>[Cl:19][C:23](=[O:22])[CH2:25][CH:26]([O:27][C:28](=[O:29])[c:30]1[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]1)[CH:37]([OH:38])[CH2:39][O:40][C:41](=[O:42])[c:43]1[c:44]([CH3:49])[cH:45][cH:46][cH:47][cH:48]1