HRID2339850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

结构：CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCCl

HCID66958751

di(tert-butyl) 1-(4-chlorobutyl)-2-propyl-2H-pyrazolo[3,4-c]quinolin-4-ylimidodicarbonate

C27H37ClN4O4

PRODUCTS

生成物

结构：CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCOC(C)=O

HCID66958934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b8d15cfaac4adf9b2ccf9a16325231
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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