HRID1115234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11564613

3-(4-Methylpiperazin-1-yl)aniline

C11H17N3

结构：c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1

HCID24946987

([1,1'-Biphenyl]-2,2'-diyl)bis(dicyclohexylphosphane)

C36H52P2

结构：CP(C)(=O)c1ccc(-c2cccn3nc(Cl)nc23)cc1

HCID67481491

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cccc(Nc3nc4c(-c5ccc(P(C)(C)=O)cc5)cccn4n3)c2)CC1

HCID49839838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5df68d1e4e60428b9fc611c6d4877f94
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

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