HRID92672

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 Ion

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID820343

3-Chloro-4-(4-methylpiperazin-1-yl)aniline

C11H16ClN3

HCID86665093

未命名化合物

PRODUCTS

产物

HCID67129973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d31983a864ae459084969f27d0492a2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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