HRID303678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID84953

Propane, 1-iodo-2,2-dimethyl-

C5H11I

HCID166653

Hydride

H-

结构：CCCCc1n[nH]c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID14951052

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

HCID14956821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5310d5278394ca2a17d2e0833ab679b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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