HRID211805

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67210775

未命名化合物

HCID178439846

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(C)cc(Br)cc2n1Cc1ccc2c(c1)CCc1ccccc1C2=CC#N

HCID67210771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70363115f070499a99e9d3a338af17ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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