HRID2149289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID121593

Isopropyl bromoacetate

C5H9BrO2

结构：CCC(CC)c1cccc2c1[nH]c(=O)n2C(=O)OC(C)(C)C

HCID67272646

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cccc2c1n(CC(=O)OC(C)C)c(=O)n2C(=O)OC(C)(C)C

HCID67273576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fb0435744f848e39639eb4cff25627a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:29][CH2:30][C:31](=[O:32])[O:33][CH:34]([CH3:35])[CH3:36].[C:23](=[O:24])([O-:25])[O-:26].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][cH:9][c:10]2[n:11]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:12](=[O:15])[nH:13][c:14]12.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[K+:27].[K+:28].[OH2:42]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][cH:9][c:10]2[n:11]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:12](=[O:15])[n:13]([CH2:30][C:31](=[O:32])[O:33][CH:34]([CH3:35])[CH3:36])[c:14]12