HRID2156268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID410445

2,2-diphenylpropane-1,3-diol

C15H16O2

HCID2758815

Ethyl 4-chlorobenzoylformate

C10H9ClO3

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(Cl)cc2)OCC(c2ccccc2)(c2ccccc2)CO1

HCID15428824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5713c3578f482f95bcccfa72308ec5
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

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