HRID669163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID61273

Pyridine, 3,5-dichloro-2,4,6-trifluoro-

C5Cl2F3N

HCID84754

Dibenzyl malonate

C17H16O4

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1c(Cl)c(F)nc(F)c1Cl

HCID59184667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42d4749e38aa421581ce7366bc849c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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