HRID2323971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

反应SMILES：CCOC(=O)COc1cc(OCC=C(C)C)ccc1C(=O)C=Cc1ccc(C(C)(C)C)cc1

HCID54393850

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)=CCOc1ccc(C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(OCC(=O)O)c1

HCID179278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7fd406f06b034417a9a5c4a72765d0be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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