HRID1572706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6493749

4-(2-(pyrrolidin-1-yl)ethoxy)aniline

C12H18N2O

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

HCID24946987

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

C36H52P2

结构：CN(c1ncccc1Nc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67481475

未命名化合物

PRODUCTS

生成物

结构：CN(c1ncccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

HCID67481428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e4ce524cd1f4aea91092634da68904b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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