HRID808609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID30165

Iodide ion

I-

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID251020

4-Ethynylanisole

C9H8O

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3O)n2)c1C(F)(F)F

HCID136298134

1H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester

C18H14F3N3O3

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3C#Cc3ccc(OC)cc3)n2)c1C(F)(F)F

HCID67158916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c40ed2100984c84bdf69ade0155b85d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:78]([N+:79]([CH2:80][CH2:81][CH2:82][CH3:83])([CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH2:90][CH3:91])[CH2:92][CH2:93][CH3:94].[CH3:57][O:58][c:59]1[cH:60][cH:61][c:62]([C:65]#[CH:66])[cH:63][cH:64]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:74][CH2:75][Cl:76].[Cu:95][I:96].[F:34][C:35]([S:36]([O:37][S:38]([C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44])(=[O:45])=[O:46])([F:47])[F:48].[I-:77].[O-:49][S:50]([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56].[OH:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1.[cH:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1>>[c:2]1([C:66]#[C:65][c:62]2[cH:61][cH:60][c:59]([O:58][CH3:57])[cH:64][cH:63]2)[c:3](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1