HRID1121235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID76467

Benzonitrile, 4-iodo-

C7H4IN

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID66681970

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1CCCOc1ccc2c(c1)CCC(=O)N2c1ccc(C#N)cc1

HCID178426193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ed72fa64dbc4075a9b7af1c30d33a52
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

[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][CH:2]1[N:3]([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[NH:17][C:16](=[O:21])[CH2:15][CH2:14]3)[CH2:4][CH2:5][CH2:6]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cs+:35].[Cs+:36].[Cu:43]([I:44])[I:45].[I:22][c:23]1[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]1.[OH2:42]>>[CH3:1][CH:2]1[N:3]([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[N:17]([c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[C:16](=[O:21])[CH2:15][CH2:14]3)[CH2:4][CH2:5][CH2:6]1