HRID1152464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID577815

(4-Aminophenyl)(morpholin-4-yl)methanone

C11H14N2O2

HCID178488500

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nn23)cn1

HCID66712467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df2cb85099b4432c87ab81c2bd4feaaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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