HRID1218508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1=C(C#N)C(c2cc3c(NC(=O)c4ccccc4)nccc3o2)C(C#N)=C(C)N1

HCID52938807

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C#N)C(c2cc3c(NC(=O)c4ccccc4)nccc3o2)C(C#N)=C(C)N1C

HCID52939056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-975dafcc1c6a489c8ff3383d1c165f9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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