HRID2338477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

结构：Nc1ncnc2c1c(Br)nn2C1CCN(Cc2ccccc2)CC1

HCID11153416

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(Cc2ccccc2)CC1

HCID9826273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab25c5f54c504ea4a240e4e4d4723874
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][c:16]([Br:24])[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:12][CH2:13]1.[O:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[Pd:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][c:16](-[c:35]3[cH:34][cH:33][c:32]([O:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:37][cH:36]3)[c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH2:23])[CH2:12][CH2:13]1