HRID1117847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID769

Bicarbonate Ion

CHO3-

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID81531

Diisopropylethylamine

C8H19N

HCID114942

Titanium(4+)

Ti+4

HCID913541

未命名化合物

结构：O=C(CCCC(O)c1ccc(F)cc1)N1C(=O)OCC1c1ccccc1

HCID12111617

3-[5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone

C20H20FNO4

PRODUCTS

生成物

结构：N#Cc1ccc(C(Nc2ccc(F)cc2)C(CCC(O)c2ccc(F)cc2)C(=O)N2C(=O)OCC2c2ccccc2)cc1

HCID22252064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-062cbf465a1b49f5b17549fdf19430aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:58]([OH:59])(=[O:60])[CH:61]([CH:62]([C:63]([OH:64])=[O:65])[OH:66])[OH:67].[C:68](=[O:69])([OH:70])[O-:71].[CH3:53][Si:54]([Cl:55])([CH3:56])[CH3:57].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl-:76].[Cl-:77].[Cl-:78].[Cl-:79].[Cl:73][CH2:74][Cl:75].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]2[C:15](=[O:25])[O:16][CH2:17][CH:18]2[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[OH:26])[cH:6][cH:7]1.[F:27][c:28]1[cH:29][cH:30][c:31]([N:34]=[CH:35][c:36]2[cH:37][cH:38][c:39]([C:40]#[N:41])[cH:42][cH:43]2)[cH:32][cH:33]1.[Na+:72].[Ti+4:80]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH:11]([C:12](=[O:13])[N:14]2[C:15](=[O:25])[O:16][CH2:17][CH:18]2[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:35]([NH:34][c:31]2[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]2)[c:36]2[cH:37][cH:38][c:39]([C:40]#[N:41])[cH:42][cH:43]2)[OH:26])[cH:6][cH:7]1