HRID194069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

反应SMILES：COC(=O)Cc1cc(C(C)=O)ccc1OCc1ccccc1

HCID11022895

未命名化合物

HCID53629101

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)Cc1cc(C2(C)OCCO2)ccc1OCc1ccccc1

HCID23286119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a48c00c9081642cf8d83d490aa2d247e
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

[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:8]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:9]1.[CH2:44]([Cl:45])[Cl:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH:23]([O-:24])([O-:25])[O:26][CH3:27].[OH2:32].[OH:28][CH2:29][CH2:30][OH:31].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[C:1]1([CH3:2])([c:4]2[cH:5][cH:6][c:7]([O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:8]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[cH:9]2)[O:3][CH2:30][CH2:29][O:28]1