HRID1120619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2769567

5-Bromo-2-chloroanisole

C7H6BrClO

HCID45073946

tert-Butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C13H22N2O3

PRODUCTS

生成物

结构：COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)ccc1Cl

HCID59813962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f8d5b0dd27d4a02980bedcfaf4b51c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]([O:27][CH3:28])[c:23]([Cl:26])[cH:24][cH:25]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13][NH:14][C:15]2=[O:16])[CH2:17][CH2:18]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][NH2:34].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][OH:56].[Cs+:39].[Cs+:40].[Cu:47][I:48].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13][N:14]([c:20]3[cH:21][c:22]([O:27][CH3:28])[c:23]([Cl:26])[cH:24][cH:25]3)[C:15]2=[O:16])[CH2:17][CH2:18]1