HRID284815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7757

Methyl acetoacetate

C5H8O3

HCID24386

Thionyl chloride

Cl2OS

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID121699

Methyl 3-oxovalerate

C6H10O3

HCID166653

Hydride

H-

4 次

HCID2779442

未命名化合物

HCID59834815

3-(Chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine

C8H7ClF3N

HCID69056451

未命名化合物

HCID69064910

[2-Ethyl-6-(trifluoromethyl)pyridin-3-yl]methanol

C9H10F3NO

PRODUCTS

生成物

HCID59834809

3-(Chloromethyl)-2-ethyl-6-(trifluoromethyl)pyridine

C9H9ClF3N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6367013daa2a47f2a0daabffc7943116
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

[Al+3:57].[C:32]([O:33][CH3:34])(=[O:35])[CH2:36][C:37]([CH3:38])=[O:39].[CH2:40]([c:41]1[n:42][c:43]([C:44]([F:45])([F:46])[F:47])[cH:48][cH:49][c:50]1[C:51]([O:52][CH3:53])=[O:54])[CH3:55].[CH2:62]([c:63]1[c:64]([CH2:65][OH:66])[cH:67][cH:68][c:69]([C:70]([F:71])([F:72])[F:73])[n:74]1)[CH3:75].[Cl:19][CH2:20][c:21]1[c:22]([CH3:31])[n:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1.[H-:56].[H-:59].[H-:60].[H-:61].[Li+:58].[NH2:1][CH:2]=[CH:3][C:4](=[O:5])[C:6]([F:7])([F:8])[F:9].[O:10]=[C:11]([CH2:12][CH3:13])[CH2:14][C:15]([O:16][CH3:17])=[O:18].[S:76]([Cl:77])([Cl:78])=[O:79]>>[CH3:2][CH2:31][c:22]1[c:21]([CH2:20][Cl:19])[cH:26][cH:25][c:24]([C:27]([F:28])([F:29])[F:30])[n:23]1