HRID1204040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11402049

2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H19BO3

HCID21947812

2-Methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid

C15H11F3O2

结构：COCc1cc(-c2nc(-c3ccc(C(=O)OC)c(F)c3)no2)ccc1Br

HCID67528348

未命名化合物

PRODUCTS

生成物

结构：COCc1cc(-c2nc(-c3ccc(C(=O)OC)c(F)c3)no2)ccc1-c1ccccc1OC

HCID67528482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-570458341490420e8fad848fb8192371
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:21][c:22]1[c:23]([CH2:44][O:45][CH3:46])[cH:24][c:25](-[c:28]2[n:29][c:30](-[c:33]3[cH:34][c:35]([F:43])[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]3)[n:31][o:32]2)[cH:26][cH:27]1.[CH3:1][c:2]1[cH:3][c:4]([C:5]([OH:6])=[O:7])[cH:8][cH:9][c:10]1-[c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[C:17]([F:18])([F:19])[F:20].[CH3:47][O:48][c:49]1[c:50]([B:55]2[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]2)[cH:51][cH:52][cH:53][cH:54]1>>[c:22]1(-[c:50]2[c:49]([O:48][CH3:47])[cH:54][cH:53][cH:52][cH:51]2)[c:23]([CH2:44][O:45][CH3:46])[cH:24][c:25](-[c:28]2[n:29][c:30](-[c:33]3[cH:34][c:35]([F:43])[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42]3)[n:31][o:32]2)[cH:26][cH:27]1