HRID2122513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2775198

1-(2,4-Dihydroxy-3-propylphenyl)ethan-1-one

C11H14O3

结构：CCCc1c(OCCCC(=O)OCC)ccc(C(C)=O)c1OCCCBr

HCID14330005

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCCCOc2c(C(C)=O)ccc(OCCCC(=O)OCC)c2CCC)ccc(C(C)=O)c1O

HCID15623025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b341bc6b7134bf999e35775f801bc66
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:41](=[O:42])([O-:43])[O-:44].[CH2:15]([CH3:16])[O:17][C:18]([CH2:19][CH2:20][CH2:21][O:22][c:23]1[c:24]([CH2:37][CH2:38][CH3:39])[c:25]([O:32][CH2:33][CH2:34][CH2:35][Br:36])[c:26]([C:29]([CH3:30])=[O:31])[cH:27][cH:28]1)=[O:40].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[K+:45].[K+:46].[OH:1][c:2]1[c:3]([C:12]([CH3:13])=[O:14])[cH:4][cH:5][c:6]([OH:11])[c:7]1[CH2:8][CH2:9][CH3:10]>>[OH:1][c:2]1[c:3]([C:12]([CH3:13])=[O:14])[cH:4][cH:5][c:6]([O:11][CH2:35][CH2:34][CH2:33][O:32][c:25]2[c:24]([CH2:37][CH2:38][CH3:39])[c:23]([O:22][CH2:21][CH2:20][CH2:19][C:18]([O:17][CH2:15][CH3:16])=[O:40])[cH:28][cH:27][c:26]2[C:29]([CH3:30])=[O:31])[c:7]1[CH2:8][CH2:9][CH3:10]