HRID1142465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID300977

N-(2-Methoxyethyl)methylamine

C4H11NO

结构：O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1ccc(CCl)cc1

HCID25212766

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)Cc1ccc(C(=O)Nc2nc3cccc(NC4CCCCC4)n3n2)cc1

HCID59437471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b705f3e478046cb828a88bb874838af
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

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