HRID1147612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6362

2-Iodopropane

C3H7I

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

反应SMILES：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12

HCID136041272

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C(C)C)c2nc(C)nn12

HCID67009847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a7f738af1a0845dca507c826e928dfc8
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:34](=[O:35])([O-:36])[O-:37].[CH3:1][c:2]1[n:3][n:4]2[c:5]([nH:6][c:7](=[O:28])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:29]1.[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[I:30][CH:31]([CH3:32])[CH3:33].[K+:38].[K+:39]>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH:31]([CH3:32])[CH3:33])[c:7](=[O:28])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:29]1