HRID1133670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID59568190

未命名化合物

PRODUCTS

生成物

结构：Cn1c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)nc2ccccc21

HCID68670993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6030402cd0e344758cd9a296be50408e
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:1][c:2]1[cH:3][cH:4][c:5]([F:18])[c:6](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[cH:7]1.[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cs+:36].[Cs+:37]>>[c:2]1([N:29]2[CH2:28][CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]([F:18])[c:6](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH3:13])[cH:14][cH:15][cH:16][cH:17]3)[cH:7]1