HRID664601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID222440

N-(tert-Butyl)-2-chloroacetamide

C6H12ClNO

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCNCC3)cc1OCC2

HCID58204550

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3CCN(CC(=O)NC(C)(C)C)CC3)cc1OCC2

HCID51348057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d273cb1a68b466bb77892b6c2a99783
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

[C:36](=[O:37])([O-:38])[O-:39].[C:42]([CH3:43])([CH3:44])([CH3:45])[NH:46][C:47]([CH2:48][Cl:49])=[O:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2.[Cl:56][CH2:57][Cl:58].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:40].[K+:41]>>[CH:8]([CH3:9])([CH3:10])[n:11]1[n:12][cH:13][n:14][c:15]1-[c:16]1[cH:17][n:18]2[c:24]([n:25]1)-[c:23]1[c:22]([cH:29][c:28]([CH:30]3[CH2:31][CH2:32][N:33]([CH2:48][C:47]([NH:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:50])[CH2:34][CH2:35]3)[cH:27][cH:26]1)[O:21][CH2:20][CH2:19]2