HRID158512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID12732

1-Hexyne

C6H10

HCID23938

Palladium

HCID24350

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

CuI

HCID67313992

未命名化合物

PRODUCTS

生成物

结构：CCCCC#Cc1cccc(-n2nc(CC)c(C(=O)OC)c2CC)c1

HCID67314187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb66d33c4a874a71aed119d49e2171ab
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

[CH2:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:19][CH3:20])[n:7][n:8](-[c:12]2[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]2)[c:9]1[CH2:10][CH3:11].[CH:21]#[C:22][CH2:23][CH2:24][CH2:25][CH3:26].[Cu:33][I:34].[Pd:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:19][CH3:20])[n:7][n:8](-[c:12]2[cH:13][c:14]([C:21]#[C:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:15][cH:16][cH:17]2)[c:9]1[CH2:10][CH3:11]