HRID315265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID11334953

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

C11H12F3NO4

HCID57591516

未命名化合物

PRODUCTS

生成物

结构：COCCOCc1nc(C(F)(F)F)ccc1C(=O)OC1=CC(=O)C2CCC1C2

HCID22600462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c516861fa0234019a4e9134b3712fae7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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