HRID1566985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21810

2-Amino-4-chloro-6-methylpyrimidine

C5H6ClN3

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(N)c2cc(C(=O)Nc3ccc(CN)cc3)ccc2n1

HCID17864630

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NCc2ccc(NC(=O)c3ccc4nc(C)cc(N)c4c3)cc2)nc(N)n1

HCID10341661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5e2df05d8614b5a8827580af6096cac
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

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