HRID2136435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2774010

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C9H15BN2O2

结构：CC(Nc1nc2c(C#CC3CC3)c[nH]c(=O)c2c2cc(Br)ccc12)C(C)(C)C

HCID59375684

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc2c(C#CC3CC3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12)C(C)(C)C

HCID59375618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b080bba4895746b4b526f357f59933e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][n:39][nH:40][cH:41]2)[O:42]1.[CH:1]1([C:4]#[C:5][c:6]2[cH:7][nH:8][c:9](=[O:28])[c:10]3[c:11]4[c:12]([c:13]([NH:16][CH:17]([C:18]([CH3:19])([CH3:20])[CH3:21])[CH3:22])[n:14][c:15]23)[cH:23][cH:24][c:25]([Br:27])[cH:26]4)[CH2:2][CH2:3]1.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH:1]1([C:4]#[C:5][c:6]2[cH:7][nH:8][c:9](=[O:28])[c:10]3[c:11]4[c:12]([c:13]([NH:16][CH:17]([C:18]([CH3:19])([CH3:20])[CH3:21])[CH3:22])[n:14][c:15]23)[cH:23][cH:24][c:25](-[c:37]2[cH:38][n:39][nH:40][cH:41]2)[cH:26]4)[CH2:2][CH2:3]1