HRID2323406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：CCOC(=O)C(Cc1ccc(C(=O)C(C)(C)C)cc1)(Cc1ccc(C(=O)C(C)(C)C)cc1)C(=O)OCC

HCID635081

Propanedioic acid, bis[[4-(2,2-dimethyl-1-oxopropyl)phenyl]methyl]-, diethyl ester

C31H40O6

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(C(=O)C(C)(C)C)cc1)Cc1ccc(C(=O)C(C)(C)C)cc1

HCID54424551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f99d2371b887486fa0369814cb7ea321
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])([CH2:11][c:12]1[cH:13][cH:14][c:15]([C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:16][cH:17]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:29][cH:30]1)=[O:37].[CH3:40][S:41]([CH3:42])=[O:43].[Cl-:39].[Na+:38].[OH2:44]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:11][c:12]1[cH:13][cH:14][c:15]([C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:16][cH:17]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:29][cH:30]1)=[O:37]