HRID197835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID231360

Piperazin-2-one

C4H8N2O

HCID67116046

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(OC)c(Oc2ccc(C(=O)N3CCNC(=O)C3)cc2F)cc1F

HCID67116248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2c3bd4dd90e40309e407857bde5b016
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

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