HRID1150759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID166653

Hydride

H-

结构：N#Cc1c(Cc2cccc3ccccc23)nc(-c2cccc3c(Br)cccc23)[nH]c1=O

HCID135847653

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1nc(-c2cccc3c(Br)cccc23)nc(Cc2cccc3ccccc23)c1C#N

HCID86742536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-616bd8609b2048c28bc549614c290a3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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