HRID157081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

结构：COCC(C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1

HCID59432537

未命名化合物

PRODUCTS

生成物

结构：COCC(C)NC(=O)c1cc(C(C)=O)cc(-c2ccc(C)cc2)c1

HCID59432534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-925e1341fa164ff98db3f06dcbbb5bb3
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][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13]([I:15])[cH:14]1.[CH3:34][C:35](=[O:36])[O:37][C:38](=[O:39])[CH3:40].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl-:23].[Li+:24].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53]>>[CH3:1][O:2][CH2:3][CH:4]([CH3:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][c:11](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:12][c:13]([C:35]([CH3:34])=[O:36])[cH:14]1