HRID2333375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID854140

tert-Butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

C12H23NO3

结构：CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(O)c1F

HCID69924374

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)c1F

HCID69924505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7af0f937a8014e95a890c6d6fad50e66
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

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