HRID95911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID9732

4-Fluorophenol

C6H5FO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID91315618

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)N2CCCC2c2cncc(Oc3ccc(F)cc3)c2)cc1

HCID76720189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1bb3ae34aac4c9e839250460ec466c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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