HRID2336590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

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

HCID2736563

1-chloro-2-fluoro-4-iodobenzene

C6H3ClFI

HCID2775131

1-Ethynyl-4-pentylbenzene

C13H16

PRODUCTS

生成物

HCID15745230

1-Chloro-2-fluoro-4-[(4-pentylphenyl)ethynyl]benzene

C19H18ClF

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d988e5b3b694434fbc9f9a30b36b5b70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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