HRID2348910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID6342

Acetonitrile

C2H3N

HCID5241824

未命名化合物

结构：OCc1ccccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID57864370

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：FC(F)(F)c1ccc(-c2ccc(COc3ccccc3C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

HCID57864367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ba0362262694030994cfcee777b9523
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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