HRID2158175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

HCID14716301

1-(2,4-Dihydroxyphenyl)-2-methyl-1-butanone

C11H14O3

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)C(C)CC)c(O)c3)cc2)cc1

HCID14716303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd9e6126e4c344bd89402b57ef2f114f
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

[CH2:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[cH:29][cH:30]1.[CH2:51]([Cl:52])[Cl:53].[CH2:54]([O:55][CH2:56][CH3:57])[CH3:58].[CH:41]([Cl:42])([Cl:43])[Cl:44].[Cl-:15].[ClH:40].[OH:1][c:2]1[cH:3][c:4]([OH:14])[cH:5][cH:6][c:7]1[C:8]([CH:9]([CH2:10][CH3:11])[CH3:12])=[O:13].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[OH:1][c:2]1[cH:3][c:4]([O:14][C:35]([c:34]2[cH:33][cH:32][c:31](-[c:28]3[cH:27][cH:26][c:25]([O:24][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:30][cH:29]3)[cH:39][cH:38]2)=[O:36])[cH:5][cH:6][c:7]1[C:8]([CH:9]([CH2:10][CH3:11])[CH3:12])=[O:13]