HRID147684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21071126

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

C13H16Cl2N2O2

HCID178505660

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3cccc(F)c3)CC2)ccc1Cl

HCID21070987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ba3243fc454469925f45c64c3b6c7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl:1][c:2]1[c:3]([C:14]([F:15])([F:16])[F:17])[n:4][nH:5][c:6]1-[c:7]1[cH:8][c:9]([F:13])[cH:10][cH:11][cH:12]1.[Cl:24][CH2:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([c:34]2[cH:35][c:36]([O:41][CH3:42])[c:37]([Cl:40])[cH:38][cH:39]2)[CH2:32][CH2:33]1.[K+:18].[K+:19].[O-:20][C:21]([O-:22])=[O:23].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Cl:1][c:2]1[c:3]([C:14]([F:15])([F:16])[F:17])[n:4][n:5]([CH2:25][C:26](=[O:27])[N:28]2[CH2:29][CH2:30][N:31]([c:34]3[cH:35][c:36]([O:41][CH3:42])[c:37]([Cl:40])[cH:38][cH:39]3)[CH2:32][CH2:33]2)[c:6]1-[c:7]1[cH:8][c:9]([F:13])[cH:10][cH:11][cH:12]1