HRID701005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID21523265

未命名化合物

PRODUCTS

生成物

结构：CC(CCOC(=O)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1

HCID21523268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24b38b96d7ce469b98363dc7f74934c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]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.[OH2:46].[OH:19][C:20](=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]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:20](=[O:19])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH3:12])[cH:7]1