HRID1129807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID522627

1-Ethynyl-4-fluorobenzene

C8H5F

HCID15185870

5-Chloropyridin-3-yl trifluoromethanesulfonate

C6H3ClF3NO3S

PRODUCTS

生成物

HCID67047748

3-Chloro-5-(4-fluorophenylethynyl)-pyridine

C13H7ClFN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc7e0b780f434aa5b1164c61ca518fbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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