HRID118318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID545699

1-Boc-3-hydroxypiperidine

C10H19NO3

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(OC2CCCN(C(=O)OC(C)(C)C)C2)c1F

HCID70005138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa5e59d7b5a4c68b664231e39acb03a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH:36]([OH:40])[CH2:37][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]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([c:6]1[c:7]([F:16])[c:8]([O:15][CH:36]2[CH2:35][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:38][CH2:37]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]