HRID158409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID22043

Benzoic acid, 4-bromo-, ethyl ester

C9H9BrO2

HCID24290

未命名化合物

HCID24350

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

CuI

HCID2775119

1-eth-1-ynyl-4-(pentyloxy)benzene

C13H16O

PRODUCTS

生成物

结构：CCCCCOc1ccc(C#Cc2ccc(C(=O)OCC)cc2)cc1

HCID22713259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa4f937d73fa4edb8c63479b1e17e360
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[CH2:13]([CH2:14][CH2:15][CH2:16][CH3:17])[O:18][c:19]1[cH:20][cH:21][c:22]([C:25]#[CH:26])[cH:23][cH:24]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cu:59][I:60].[Pd:99]([Cl:100])[Cl:101].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[c:2]1([C:26]#[C:25][c:22]2[cH:21][cH:20][c:19]([O:18][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[cH:24][cH:23]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1