HRID686464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C5CN(C(=O)OC(C)(C)C)C5)c5ncnc(N)c45)ccc32)c1

HCID66823448

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C5CNC5)c5ncnc(N)c45)ccc32)c1

HCID66824049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4118568da0944bba2bbca890e6da383
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

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