HRID176146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22330182

tert-Butyl 4-(3-aminophenyl)piperazine-1-carboxylate

C15H23N3O2

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

HCID24946987

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

C36H52P2

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

HCID67481437

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1

HCID59612415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76300356718246e58eb858d169f71002
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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