HRID1208630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21959529

4-(1-Methylpiperidin-4-yl)aniline

C12H18N2

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)c1ccccc1CNc1cccn2nc(Cl)nc12

HCID67479011

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(c2ccc(Nc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1

HCID49839375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-555cb619a996406e9341b5d1d4509670
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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