HRID311361

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

HCID178489099

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nn(CC(=O)N3CCN(c4ccc(Cl)c(OC)c4)CC3)c(C(F)(F)F)c2Cl)cc1

HCID57840428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f6b128e16f14f84a1d2456a5e8f56e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[Cl:1][c:2]1[c:3]([C:15]([F:16])([F:17])[F:18])[n:4][nH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1.[Cl:25][CH2:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([c:35]2[cH:36][c:37]([O:42][CH3:43])[c:38]([Cl:41])[cH:39][cH:40]2)[CH2:33][CH2:34]1.[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[Cl:1][c:2]1[c:3]([C:15]([F:16])([F:17])[F:18])[n:4]([CH2:26][C:27](=[O:28])[N:29]2[CH2:30][CH2:31][N:32]([c:35]3[cH:36][c:37]([O:42][CH3:43])[c:38]([Cl:41])[cH:39][cH:40]3)[CH2:33][CH2:34]2)[n:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1