HRID674649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID166653

Hydride

H-

HCID57073672

未命名化合物

HCID136030529

未命名化合物

PRODUCTS

生成物

结构：CON=C(C1=NOCCO1)c1ccccc1OC(=O)C=C(C)c1cccc(C(F)(F)F)c1

HCID72608905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ce8bb1480f484db23dfad395fae5ea
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

[CH3:21][O:22][N:23]=[C:24]([c:25]1[c:26]([OH:31])[cH:27][cH:28][cH:29][cH:30]1)[C:32]1=[N:33][O:34][CH2:35][CH2:36][O:37]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:46][CH2:47][CH2:48][Cl:49].[F:1][C:2]([c:3]1[cH:4][c:5]([C:9](=[CH:10][C:11](=[O:12])[OH:13])[CH3:14])[cH:6][cH:7][cH:8]1)([F:15])[F:16].[H-:38].[Na+:39].[OH2:45].[S:17]([Cl:18])([Cl:19])=[O:20]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:9](=[CH:10][C:11](=[O:12])[O:13][c:26]2[c:25]([C:24](=[N:23][O:22][CH3:21])[C:32]3=[N:33][O:34][CH2:35][CH2:36][O:37]3)[cH:30][cH:29][cH:28][cH:27]2)[CH3:14])[cH:6][cH:7][cH:8]1)([F:15])[F:16]