HRID205042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID14457358

6-Fluoro-1,3-benzoxazol-2(3H)-one

C7H4FNO2

HCID21071126

2-Chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethan-1-one

C13H16Cl2N2O2

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3c(=O)oc4cc(F)ccc43)CC2)ccc1Cl

HCID16059443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f714866c64145bcb2dd500c1454a47d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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