HRID120767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID166653

Hydride

H-

2 次

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

HCID9901664

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

C20H16FNO2

HCID18764105

未命名化合物

PRODUCTS

生成物

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-50e110dc5bd24335aa9e6f62e6956f4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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