HRID677824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20136253

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline

C12H19N3O

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

HCID24946987

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

C36H52P2

结构：CN(c1ncccc1CNc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67478948

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C)CC2)ccc1Nc1nc2c(NCc3cccnc3N(C)S(C)(=O)=O)cccn2n1

HCID67478936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdc8925994aa49a5a779c50ba8a424cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:25][O:26][c:27]1[c:28]([NH2:40])[cH:29][cH:30][c:31]([N:33]2[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]2)[cH:32]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]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1>>[c:2]1([NH:40][c:28]2[c:27]([O:26][CH3:25])[cH:32][c:31]([N:33]3[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]3)[cH:30][cH:29]2)[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1