HRID205733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11534

Bromoacetonitrile

C2H2BrN

HCID4574913

未命名化合物

结构：CC1Cc2ccc(-c3cc[nH]n3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID178421891

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(-c3ccn(CC#N)n3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID46701050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5879b0f808864eafaf33e92ede20ee70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:42][CH2:43][C:44]#[N:45].[CH2:7]1[O:8][CH2:9][CH2:10][CH2:11]1.[CH3:12][N:13]1[CH2:14][CH2:15][N:16]([c:19]2[n:20][c:21]([NH2:41])[n:22][c:23]([N:25]3[CH2:26][c:27]4[cH:28][c:29](-[c:36]5[n:37][nH:38][cH:39][cH:40]5)[cH:30][cH:31][c:32]4[CH2:33][CH:34]3[CH3:35])[cH:24]2)[CH2:17][CH2:18]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[K+:6].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:12][N:13]1[CH2:14][CH2:15][N:16]([c:19]2[n:20][c:21]([NH2:41])[n:22][c:23]([N:25]3[CH2:26][c:27]4[cH:28][c:29](-[c:36]5[n:37][n:38]([CH2:43][C:44]#[N:45])[cH:39][cH:40]5)[cH:30][cH:31][c:32]4[CH2:33][CH:34]3[CH3:35])[cH:24]2)[CH2:17][CH2:18]1