HRID100456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID568345

3-chlorocyclohex-2-en-1-one

C6H7ClO

HCID11334953

2-(2-Methoxy-ethoxymethyl)-6-trifluoromethyl-nicotinic acid

C11H12F3NO4

PRODUCTS

生成物

结构：COCCOCc1nc(C(F)(F)F)ccc1C(=O)OC1=CC(=O)CCC1

HCID57591521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a5a9bc86f91449abd04caa196e443b0
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

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