HRID1570604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：O=c1[nH]nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn12

HCID57799392

未命名化合物

HCID59834816

[2-Methyl-1-oxo-6-(trifluoromethyl)-1lambda~5~-pyridin-3-yl]methanol

C8H8F3NO2

PRODUCTS

生成物

结构：Cc1c(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)ccc(C(F)(F)F)[n+]1[O-]

HCID57799355

3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-2-methyl-6-(trifluoromethyl)pyridine 1-oxide

C25H17ClF3N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b40a1cf5705348cc971dfa358a42d380
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[O:57]=[C:58]([O:59][CH2:60][CH3:61])[N:62]=[N:63][C:64]([O:65][CH2:66][CH3:67])=[O:68].[OH:24][CH2:25][c:26]1[c:27]([CH3:37])[n+:28]([O-:36])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:17])[n:15]([CH2:25][c:26]2[c:27]([CH3:37])[n+:28]([O-:36])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[n:16]3)[cH:6][cH:7]1