HRID1223642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID1714884

4-(4-octylphenyl)benzoic acid

C21H26O2

HCID20214693

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OC(=O)OCC(C)CC)cc3)cc2)cc1

HCID13741982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c47637d276834c85a806c46c9ef041df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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