HRID2148365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4574913

未命名化合物

HCID13380183

未命名化合物

HCID22399772

未命名化合物

PRODUCTS

生成物

结构：CCCC(c1ccc(C(=O)OC)cc1)C(C(=O)OC(C)(C)C)c1ccc(Cl)cc1

HCID58349494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad06062059c848d4853cef4dc298e049
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

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