HRID2318786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID86656701

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2nc(Cc3ccc(Cl)cc3)cc(C(C)(C)O)n2)CC1

HCID67342026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64e5dcb23fe14e918a368622cfed7018
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[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][cH:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cl:1][c:2]1[n:3][c:4]([CH2:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1.[NH2:20][CH:21]1[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]1.[Na+:39].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[Pd+2:77]>>[c:2]1([NH:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[n:3][c:4]([CH2:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1