HRID180151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID8900

Heptane

C7H16

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：COC(=O)c1ccc2nc(-c3c(C)cc(OS(=O)(=O)C(F)(F)F)cc3C)[nH]c2c1

HCID86632816

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2nc(-c3c(C)cc(N4CCOCC4)cc3C)[nH]c2c1

HCID66966397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccc1c6510fd34855888f20aa4e2519f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:30]1[CH2:31][O:32][CH2:33][CH2:34][NH:35]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][c:10](-[c:12]3[c:13]([CH3:27])[cH:14][c:15]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:16][c:17]3[CH3:18])[nH:11]2)[cH:28][cH:29]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[K+:41].[K+:42].[K+:43].[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:51].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd:59].[Pd:60]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][c:10](-[c:12]3[c:13]([CH3:27])[cH:14][c:15]([N:35]4[CH2:30][CH2:31][O:32][CH2:33][CH2:34]4)[cH:16][c:17]3[CH3:18])[nH:11]2)[cH:28][cH:29]1