HRID687805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID22496099

N-(4-Aminophenyl)prop-2-enamide

C9H10N2O

结构：Clc1ncnc(Nc2ccc3c(cnn3Cc3ccccc3)c2)n1

HCID22496107

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)Nc1ccc(Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1

HCID10183167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a29e497f44a4f49910aeae7fad8c9a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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