HRID1210932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773342

[4-(Cyanomethyl)phenyl]boronic acid

C8H8BNO2

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697186

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccc(CC#N)cc2)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f33c600bb8134bf8b49be99b77875730
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:1][c:2]1[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1.[C:29](#[N:30])[CH2:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([CH2:31][C:29]#[N:30])[cH:37][cH:36]2)[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1