HRID296228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID676553

2,8-Dichloroquinoline

C9H5Cl2N

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc3cccc(Cl)c3n2)CC1

HCID67397810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56cf6cc9acf64b10bea4423068b938ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH:36](=[CH:37][C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:54](=[CH:55][C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)=[O:65])[c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH:72](=[CH:73][C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)=[O:83])[c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Cl:1][c:2]1[n:3][c:4]2[c:5]([Cl:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1.[Pd:34].[Pd:35]>>[c:2]1([NH:26][CH:23]2[CH2:22][CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]2)[n:3][c:4]2[c:5]([Cl:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1