HRID700273

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

HCID22391973

6-Bromo-α,α-dimethyl-3-pyridinemethanol

C8H10BrNO

HCID58335256

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(O)c1ccc(Nc2sc(-c3ccc(Cl)cc3)nc2C(N)=O)nc1

HCID44602525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1eb7d3f607de4f4b930b319acbe2238d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[Br:17][c:18]1[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[OH:27])[cH:22][n:23]1.[C:28](=[O:29])([O-:30])[O-:31].[K+:32].[K+:33].[NH2:1][c:2]1[c:3]([C:14](=[O:15])[NH2:16])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[s:6]1.[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[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.[Pd:34].[Pd:35]>>[NH:1]([c:2]1[c:3]([C:14](=[O:15])[NH2:16])[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[s:6]1)[c:18]1[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[OH:27])[cH:22][n:23]1