HRID691508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8080

3,4-Dihydro-2H-pyran

C5H8O

结构：COc1c(-c2ccc(C(F)(F)F)cc2CBr)cc(C(C)C)c(F)c1O

HCID86603436

未命名化合物

PRODUCTS

生成物

结构：COc1c(-c2ccc(C(F)(F)F)cc2CBr)cc(C(C)C)c(F)c1OC1CCCCO1

HCID86603437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da9b461ce2974b4aafdb2183a27d3066
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

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