HRID1229526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

反应SMILES：COC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID9901664

Methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate

C20H16FNO2

PRODUCTS

产物

反应SMILES：O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID9947974

2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

C19H14FNO

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ec2590fe86424c1980d43349fd94c7e1
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

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