HRID946380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

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

HCID22913883

1-Bromo-4-(2,2,2-trifluoroethoxy)benzene

C8H6BrF3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(OCC(F)(F)F)cc2)CC1

HCID68847847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7538e8678b094619842ec7d361cdcc38
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:6][cH:7]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[N:14]1([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[Na+:32].[O:42]=[C:43]([CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Pd:40].[Pd:41]>>[c:2]1([N:17]2[CH2:16][CH2:15][N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19][CH2:18]2)[cH:3][cH:4][c:5]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:6][cH:7]1