HRID2156753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID8821

Ethyl acrylate

C5H8O2

反应SMILES：CCOc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc(N)cc1)O2

HCID19822197

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C(Cl)Cc1ccc(OCC2(C)CCc3c(C)c(OCC)c(C)c(C)c3O2)cc1

HCID19822269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dce7a2ef19b34a2a8836ef3c186f4542
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:32]([CH:33]=[CH2:34])(=[O:35])[O:36][CH2:37][CH3:38].[CH3:39][C:40](=[O:41])[CH3:42].[ClH:27].[N:28]([O-:29])=[O:30].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]2([CH3:24])[O:9][c:10]3[c:11]([CH3:23])[c:12]([CH3:22])[c:13]([O:19][CH2:20][CH3:21])[c:14]([CH3:18])[c:15]3[CH2:16][CH2:17]2)[cH:25][cH:26]1.[Na+:31]>>[c:2]1([CH2:34][CH:33]([Cl:27])[C:32](=[O:35])[O:36][CH2:37][CH3:38])[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]2([CH3:24])[O:9][c:10]3[c:11]([CH3:23])[c:12]([CH3:22])[c:13]([O:19][CH2:20][CH3:21])[c:14]([CH3:18])[c:15]3[CH2:16][CH2:17]2)[cH:25][cH:26]1