HRID169927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID70092

2-Butene, 1-bromo-3-methyl-

C5H9Br

反应SMILES：CC(C)(C)C(=O)OCn1c(=O)c2[nH]c(Cl)nc2n(COC(=O)C(C)(C)C)c1=O

HCID23536889

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)=CCn1c(Cl)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

HCID23536891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f052da79094c44e7bb4798bc644815a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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