HRID197957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID94746

2,2-Dimethyl-4-butyrolactone

C6H10O2

HCID14928877

Butanoic acid, 4-bromo-2,2-dimethyl-, methyl ester

C7H13BrO2

HCID135588861

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)CCOc1ccc(C2=NNC(=O)CC2)cc1Cl

HCID15016387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15baa8cf6d454e6aa157020ed7400f4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:16][CH2:17][CH2:18][C:19]([C:20](=[O:21])[O:22][CH3:23])([CH3:24])[CH3:25].[BrH:34].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:26][C:27]1([CH3:28])[CH2:29][CH2:30][O:31][C:32]1=[O:33].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][OH:66].[Cl-:35].[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:14][NH:13][C:12](=[O:15])[CH2:11][CH2:10]2)[cH:5][cH:6][c:7]1[OH:8].[Cl:36][C:37]([C:38]([Cl:39])=[O:40])=[O:41].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2=[N:14][NH:13][C:12](=[O:15])[CH2:11][CH2:10]2)[cH:5][cH:6][c:7]1[O:8][CH2:17][CH2:18][C:19]([C:20](=[O:21])[O:22][CH3:23])([CH3:24])[CH3:25]