HRID669985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID3503767

4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

C9H12BNO3

结构：N#CCc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1Br

HCID59206716

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CC#N)cc1

HCID59206286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2369491964f34b50b66c7cf6688bc735
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][N:27]([C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)[CH3:39].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([Br:25])[c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18](-[c:33]4[cH:32][cH:31][c:30]([C:28]([N:27]([CH3:26])[CH3:39])=[O:29])[cH:35][cH:34]4)[c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2