HRID300363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21940085

tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate

C16H24N2O2

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

HCID24946987

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

C36H52P2

HCID67479086

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(Sc2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)cc1

HCID49839493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34e109ff4a8a4d4281fe23274713e579
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][CH:32]([c:35]2[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]2)[CH2:33][CH2:34]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[P:62]([CH:63]2[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]2)[CH:69]2[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]2)[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([S:10][c:11]3[cH:12][cH:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[cH:15][cH:16]3)[cH:7][cH:8][cH:9]2)[n:21]1>>[c:2]1([NH:41][c:38]2[cH:37][cH:36][c:35]([CH:32]3[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]3)[cH:40][cH:39]2)[n:3][n:4]2[c:5]([c:6]([S:10][c:11]3[cH:12][cH:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[cH:15][cH:16]3)[cH:7][cH:8][cH:9]2)[n:21]1