HRID141262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12085

Benzoic acid, 4-iodo-

C7H5IO2

HCID21531

Triisopropyl orthoborate

C9H21BO3

HCID2801388

未命名化合物

HCID11358071

[4'-(Pentyloxy)[1,1'-biphenyl]-4-yl]boronic acid

C17H21BO3

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1

HCID9798987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f152fd1390b48bcb3647ec729e62323
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B:25]([O:26][CH:27]([CH3:28])[CH3:29])([O:30][CH:31]([CH3:32])[CH3:33])[O:34][CH:35]([CH3:36])[CH3:37].[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:12][cH:13]2)[cH:6][cH:7]1.[CH2:20]([Li:21])[CH2:22][CH2:23][CH3:24].[CH2:48]([O:49][c:50]1[cH:51][cH:52][c:53](-[c:54]2[cH:55][cH:56][c:57]([B:58]([OH:59])[OH:60])[cH:61][cH:62]2)[cH:63][cH:64]1)[CH2:65][CH2:66][CH2:67][CH3:68].[I:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]1>>[c:2]1(-[c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:12][cH:13]2)[cH:6][cH:7]1