HRID957061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13400

2-Acetyl-1-cyclohexanone

C8H12O2

HCID19660

Carbonate

CO3-2

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：COC(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1

HCID57362684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-564c1a0a569942498a0ba76cb50cedf4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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