HRID827912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID79610

5-Bromo-1,2,4-trimethylbenzene

C9H11Br

HCID95417

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

C17H14O

3 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C

HCID67380782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e32c78cbf7d467d92a5ecf43effc581
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:14][c:15]1[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[c:19]([CH3:21])[cH:20]1.[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Na+:29].[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.[OH2:93].[Pd:37].[Pd:38]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[c:19]([CH3:21])[cH:20]2)[CH2:12][CH2:13]1