HRID1539052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID56676034

未命名化合物

PRODUCTS

生成物

HCID69333047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-529db741b1e2429f80d03a6777ddbbeb
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:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH:10]([CH2:11][CH2:12]2)[CH2:13][N:14]([CH3:16])[CH2:15]3)[cH:6][cH:7]1.[CH2:17]1[CH2:18][NH:19][CH2:20][CH2:21][NH:22]1.[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Na+:28].[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[OH2:36].[Pd:37].[Pd:38]>>[c:2]1([N:19]2[CH2:18][CH2:17][NH:22][CH2:21][CH2:20]2)[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH:10]([CH2:11][CH2:12]2)[CH2:13][N:14]([CH3:16])[CH2:15]3)[cH:6][cH:7]1