HRID1220081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID851833

1-(2,3-Dichlorophenyl)piperazine

C10H12Cl2N2

HCID21073340

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2cc(F)c(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2N1

HCID21073547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d66b3bc50b004514ab2881a32e2a3d49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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