HRID1544578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID74187

1H-Benzimidazol-2-amine, 1-methyl-

C8H9N3

HCID81531

Diisopropylethylamine

C8H19N

HCID58996965

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2nc3ccccc3n2C)CC1

HCID58997007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66bf6345355043e993a2dad73e1668de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:33][c:34]1[c:35]([CH2:40][N:41]([CH:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[CH2:48][c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[CH3:55])[n:36][cH:37][cH:38][cH:39]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:13][c:14]1[n:15][c:16]2[c:17]([n:18]1[CH3:19])[cH:20][cH:21][cH:22][cH:23]2.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1](=[O:2])([NH:13][c:14]1[n:15][c:16]2[c:17]([n:18]1[CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[N:45]1[CH2:44][CH2:43][CH:42]([N:41]([CH2:40][c:35]2[c:34]([CH3:33])[cH:39][cH:38][cH:37][n:36]2)[CH2:48][c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[CH3:55])[CH2:47][CH2:46]1