HRID125615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID10219638

di-tert-butylcarbonate

C9H18O3

HCID44554132

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccnc2)n(C(=O)OC(C)(C)C)c2ccc(C#N)cc12

HCID58215782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-228dbb21d8c5414da155ffc93bd56778
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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