HRID168505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID24290

未命名化合物

HCID24350

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

CuI

HCID28179

Fluoride

F-

HCID70725

m-Fluoroiodobenzene

C6H4FI

HCID67047749

未命名化合物

PRODUCTS

生成物

HCID67047762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5926e28482fe4b528c65b67442d2a668
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:32]([CH3:33])[O:34][C:35]([c:36]1[cH:37][n:38][cH:39][c:40]([C:42]#[C:43][Si:44]([CH3:45])([CH3:46])[CH3:47])[cH:41]1)=[O:48].[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl-:49].[Cu:98][I:99].[F-:1].[I:24][c:25]1[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]1.[NH4+:50].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1.[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[c:25]1([C:43]#[C:42][c:40]2[cH:39][n:38][cH:37][c:36]([C:35]([O:34][CH2:32][CH3:33])=[O:48])[cH:41]2)[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]1