HRID101493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl Acetate

C4H8O2

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID22464

4-Pentynoic acid

C5H6O2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID18997553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c2e78899c9cf49fb828b80226c2f915c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[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]