HRID109452

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

HCID11413882

Methanesulfonic acid, trifluoro-, 5-fluoro-3-pyridinyl ester

C6H3F4NO3S

HCID12088964

3-Ethynylbenzonitrile

C9H5N

PRODUCTS

生成物

HCID67047857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1de4efe1c37343dd823b8d6352188bd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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