HRID203518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID947

Nitrogen

HCID6405

2-Methyl-2-butanol

C5H12O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID5200242

7-Amino-3,4-dihydro-1H-quinolin-2-one

C9H10N2O

HCID86665093

未命名化合物

PRODUCTS

生成物

结构：O=C1CCc2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2N1

HCID67129965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-687231f25bb7496db67dc902b17063b3
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

[CH3:1][C:2]([OH:3])([CH2:4][CH3:5])[CH3:6].[CH3:97][OH:98].[Cl:9][c:10]1[n:11][c:12]([NH:19][CH:20]2[CH2:21][CH2:22]2)[c:13]2[c:14]([n:15]1)[cH:16][cH:17][o:18]2.[K+:35].[K+:36].[N:7]#[N:8].[NH2:23][c:24]1[cH:25][cH:26][c:27]2[c:32]([cH:33]1)[NH:31][C:30](=[O:34])[CH2:29][CH2:28]2.[O-:37][C:38]([O-:39])=[O:40].[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[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.[Pd:41].[Pd:42]>>[c:10]1([NH:23][c:24]2[cH:25][cH:26][c:27]3[c:32]([cH:33]2)[NH:31][C:30](=[O:34])[CH2:29][CH2:28]3)[n:11][c:12]([NH:19][CH:20]2[CH2:21][CH2:22]2)[c:13]2[c:14]([n:15]1)[cH:16][cH:17][o:18]2