HRID161033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID142225

Ethanone, 2-bromo-1-(4-nitrophenyl)-

C10H12BrNO

结构：COc1ccc(-c2nccn2N=Cc2ccc(N(C)C)cc2)cc1

HCID54562755

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：COc1ccc(-c2n(N=Cc3ccc(N(C)C)cc3)cc[n+]2CC(=O)c2ccc(N(C)C)cc2)cc1

HCID54351438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea019417f8164feca775780488ec6be7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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