HRID300088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31268

Pyrrolidine

C4H9N

HCID31275

1,4-Dioxane

C4H8O2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21

HCID67211075

未命名化合物

HCID178476743

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(N4CCCC4)c(C(F)(F)F)c3)cc21

HCID67220173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e474d8fbbb74d06a7f69442e48e3fae
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:70]([O:71][Pd:72][O:73][C:74](=[O:75])[CH3:76])(=[O:77])[CH3:78].[CH2:32]1[CH2:33][CH2:34][NH:35][CH2:36]1.[CH3:58][C:59]([O-:60])([CH3:61])[CH3:62].[Cl:1][c:2]1[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[c:11]4[c:12]([nH:13][c:14]3[cH:15][cH:16]2)[CH:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:18][CH2:19]4)[cH:26][cH:27]1.[Na+:63].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[c:37]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][c:48]1[P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57]>>[c:2]1([N:35]2[CH2:34][CH2:33][CH2:32][CH2:36]2)[c:3]([C:28]([F:29])([F:30])[F:31])[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[c:11]4[c:12]([nH:13][c:14]3[cH:15][cH:16]2)[CH:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:18][CH2:19]4)[cH:26][cH:27]1