HRID1152397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CN(C)CCOCC(O)c1ccc2cc(OCc3ccccc3)ccc2c1

HCID54408198

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)OC(COCCN(C)C)c1ccc2cc(OCc3ccccc3)ccc2c1

HCID54195613

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dcbfd6c992f4fbdbd3b9b8b803bd965
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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