HRID1115436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

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

HCID59238202

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3ccn(CCO)c(=O)c3c2)CC1

HCID59238165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-204f7a9d4cdc4d35bcda10fa0673552c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:13][CH2:14][OH:15])[c:9](=[O:12])[c:10]2[cH:11]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[K+:34].[N:16]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:20]2)[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:13][CH2:14][OH:15])[c:9](=[O:12])[c:10]2[cH:11]1