HRID2122558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

HCID166653

Hydride

H-

结构：CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F

HCID168089

SK&F 24260

C20H22F3NO4

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(C)N(CCN2CCOCC2)C(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F

HCID53699

Diethyl 1,4-dihydro-2,6-dimethyl-1-(2-morpholinoethyl)-4-(alpha,alpha,alpha-trifluoro-o-tolyl)3,5-pyridinedicarboxylate

C26H33F3N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09b82acad47944f68ac405c566d10856
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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