HRID1204092

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

HCID83795

1-Acetylpiperazine

C6H12N2O

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

结构：CC(=O)N1CCN(c2ccc(N3CCC4CN(C)CC43)cc2)CC1

HCID68499339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-742af5c649d64f4fb4a719cec95554d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[C:17]([CH3:18])(=[O:19])[N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Na+:31].[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.[OH2:39].[Pd:40].[Pd:41]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([C:17]([CH3:18])=[O:19])[CH2:25][CH2:24]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