HRID2153015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID122419

Butanoic acid, 2-hydroxypropyl ester

C7H14O3

HCID1714884

4-(4-octylphenyl)benzoic acid

C21H26O2

PRODUCTS

生成物

结构：CCCCCCCCc1ccc(-c2ccc(C(=O)OC(C)COC(=O)CCC)cc2)cc1

HCID19742468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-011cb11ac0b34004b333de67f39450bd
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:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[OH:10].[CH2:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[cH:24][cH:25]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl-:11].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[O:6][CH2:7][CH:8]([CH3:9])[O:10][C:30]([c:29]1[cH:28][cH:27][c:26](-[c:23]2[cH:22][cH:21][c:20]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:25][cH:24]2)[cH:34][cH:33]1)=[O:31]