HRID203408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID14122

Diethyl benzylphosphonate

C11H17O3P

HCID4574913

未命名化合物

结构：O=Cc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1

HCID22138045

未命名化合物

PRODUCTS

生成物

结构：Brc1c2ccccc2c(-c2ccc(C=Cc3ccccc3)cc2)c2ccccc12

HCID73866852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d707fe1a9fc940739f5fc45df1f6d973
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9](-[c:16]2[cH:17][cH:18][c:19]([CH:22]=[O:23])[cH:20][cH:21]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12.[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[P:31](=[O:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38].[CH3:39][S:40]([CH3:41])=[O:42].[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[K+:48].[OH2:49]>>[Br:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[c:9](-[c:16]2[cH:17][cH:18][c:19]([CH:22]=[CH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:20][cH:21]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12