HRID2130042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75994

1-Benzylpiperazine

C11H16N2

HCID18421588

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1F

HCID21830856

2-(2-Fluorophenyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone

C20H23FN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5da94a283c0343edb951decaac81fcd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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