HRID2323977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID61668

Boronic acid

H3BO2

结构：COc1ccccc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID69166809

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C#N)cc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID68348883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f8ca5b45bcc4f038d454fed8f3a15c8
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

[BH:1]([OH:2])[OH:3].[Br:29][c:30]1[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][c:22](-[c:30]3[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]3)[cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]