HRID1137988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2795568

1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine

C12H19N3

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccccc2CNc2ccc3c(=O)[nH]nc(Cl)c3c2)CC1

HCID24946338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16d03b84d65948c99f97fe8890645aa3
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][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:14][N:15]1[CH2:16][CH2:17][N:18]([c:21]2[c:22]([CH2:23][NH2:24])[cH:25][cH:26][cH:27][cH:28]2)[CH2:19][CH2:20]1.[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[c:2]1([NH:24][CH2:23][c:22]2[c:21]([N:18]3[CH2:17][CH2:16][N:15]([CH3:14])[CH2:20][CH2:19]3)[cH:28][cH:27][cH:26][cH:25]2)[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1