HRID198058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7943

Dimethyl malonate

C5H8O4

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID166653

Hydride

H-

结构：CCOc1ncccc1C1(Cl)C(=O)Nc2cc(F)c(Cl)cc21

HCID67087668

3,5-Dichloro-3-(2-ethoxy-3-pyridinyl)-6-fluoro-1,3-dihydro-2H-indol-2-one

C15H11Cl2FN2O2

PRODUCTS

生成物

结构：CCOc1ncccc1C1(C(C(=O)OC)C(=O)OC)C(=O)Nc2cc(F)c(Cl)cc21

HCID67087705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f81c2a2a0374583bbc8e3494e4f1b06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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