HRID316219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8158

Nonanoic acid

C9H18O2

HCID21523265

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCC(=O)OCCC(C)c1ccc(-c2ccccc2)c(F)c1

HCID53757488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e21645fd6344ecdb76c260ae9ae83cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])(=[O:28])[OH:29].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([CH2:9][CH2:10][OH:11])[CH3:12])[cH:7]1.[OH2:48].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([CH2:9][CH2:10][O:11][C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])=[O:28])[CH3:12])[cH:7]1