HRID681498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc(C3(C#N)CC3)cc2)OC1(C)C

HCID53423523

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile

C16H20BNO2

结构：Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)c1ccccc1

HCID66660478

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(-c2ccc(-c3ccc(C4(C#N)CC4)cc3)cc2)c1NC(=O)OC(C)c1ccccc1

HCID75300782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c19d9403f58474a8d4c00a3976b4bdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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