HRID2339920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：Cn1c(Nc2ccc(Oc3ncccc3Br)cc2)nc2ccccc21

HCID59327116

N-(4-(3-bromopyridin-2-yloxy)phenyl)-1-methyl-1H-benzo[d]imidazol-2-amine

C19H15BrN4O

PRODUCTS

生成物

结构：Cn1c(Nc2ccc(Oc3ncccc3-c3cccnc3)cc2)nc2ccccc21

HCID59326945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-344dcf651fc643ecb128752acfd26a87
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

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