HRID285933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID22464

4-Pentynoic acid

C5H6O2

HCID23938

Palladium

PRODUCTS

生成物

HCID18997553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b452d3952614056bef53e6cb5f856c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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