HRID110162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID51200

Nafimidone

C15H12N2O

PRODUCTS

生成物

HCID3054123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-622f1a3acff14f31aca773ef7260f27a
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

[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[ClH:1].[K+:40].[K+:41].[OH2:24].[OH:20][CH2:21][CH2:22][OH:23].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[cH:2]1[c:3]([C:12](=[O:13])[CH2:14][n:15]2[cH:16][n:17][cH:18][cH:19]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[cH:2]1[c:3]([C:12]2([CH2:14][n:15]3[cH:16][n:17][cH:18][cH:19]3)[O:13][CH2:22][CH2:21][O:20]2)[cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12