HRID163076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13512

3,3-Dimethylbutyne

C6H10

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：COC(=O)c1sc(Br)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1

HCID57795364

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)C1CCC(O)CC1

HCID58113991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-965eb91d5bd942379fb708811d29b816
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

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