HRID698931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4615168

8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

C10H12N2O

HCID86665093

未命名化合物

PRODUCTS

生成物

结构：O=C1CCCc2ccc(Nc3nc(NC4CC4)c4occc4n3)cc2N1

HCID68751556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f5696432d4d4179a28214f905584562
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

[C:90]([OH:91])([CH3:92])([CH3:93])[CH3:94].[Cl:1][c:2]1[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2.[K+:28].[K+:29].[NH2:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:27]1)[NH:21][C:22](=[O:26])[CH2:23][CH2:24][CH2:25]2.[O-:30][C:31]([O-:32])=[O:33].[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]>>[c:2]1([NH:15][c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[NH:21][C:22](=[O:26])[CH2:23][CH2:24][CH2:25]3)[n:3][c:4]([NH:11][CH:12]2[CH2:13][CH2:14]2)[c:5]2[c:6]([n:7]1)[cH:8][cH:9][o:10]2