HRID1573906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1

HCID58335271

未命名化合物

HCID58335272

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)COCc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)n1

HCID44623104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca145755ddb24fc594941b6f40a4e644
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][cH:26][c:27]([CH2:29][O:30][CH2:31][C:32]([CH3:33])([OH:34])[CH3:35])[n:28]1.[C:36](=[O:37])([O-:38])[O-:39].[K+:40].[K+:41].[NH2:1][c:2]1[c:3]([C:19](=[O:20])[NH2:21])[n:4][c:5](-[c:7]2[c:8]([F:18])[cH:9][c:10]([C:14]([CH3:15])([CH3:16])[OH:17])[cH:11][c:12]2[F:13])[s:6]1.[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[NH:1]([c:2]1[c:3]([C:19](=[O:20])[NH2:21])[n:4][c:5](-[c:7]2[c:8]([F:18])[cH:9][c:10]([C:14]([CH3:15])([CH3:16])[OH:17])[cH:11][c:12]2[F:13])[s:6]1)[c:23]1[cH:24][cH:25][cH:26][c:27]([CH2:29][O:30][CH2:31][C:32]([CH3:33])([OH:34])[CH3:35])[n:28]1