HRID202096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1cccc2nc(C(C)Nc3ncnc(N)c3C#N)n(C3CC3)c12

HCID67434174

未命名化合物

结构：CC(N)c1nc2cccc(C(=O)NC(C)(C)C)c2n1C1CC1

HCID67434243

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncnc(N)c1C#N)c1nc2cccc(C(=O)NC(C)(C)C)c2n1C1CC1

HCID76792707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79254cb5173a43cfae2474cfd733c9e7
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

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