HRID136292

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(c1ncccc1CNc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67478948

未命名化合物

PRODUCTS

生成物

结构：CN(c1ncccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O

HCID67479443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93ff97ed8b564e01bc92dfd0409cbbcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[P:60]([CH:61]2[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2)[CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]2)[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]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.[N:25]1([CH2:30][CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]2)[CH2:26][CH2:27][CH2:28][CH2:29]1>>[c:2]1([NH:39][c:36]2[cH:35][cH:34][c:33]([O:32][CH2:31][CH2:30][N:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:38][cH:37]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