HRID208674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID98070

3-(4-Fluorophenyl)-2-propenoic acid

C9H7FO2

HCID23121881

1,1-Diphenylhexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H18N2O2

PRODUCTS

生成物

结构：O=C(C=Cc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

HCID68420691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a35f35983804d36bae65366ab905f8b
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

[C:41](=[O:42])([O-:43])[OH:44].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[Cl:13][C:14]([C:15]([Cl:16])=[O:17])=[O:18].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[c:19]1([C:25]2([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[O:26][C:27](=[O:34])[N:28]3[CH:29]2[CH2:30][NH:31][CH2:32][CH2:33]3)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:10])[N:31]2[CH2:30][CH:29]3[C:25]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[O:26][C:27](=[O:34])[N:28]3[CH2:33][CH2:32]2)[cH:11][cH:12]1