HRID1563792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)cc2)CC1

HCID2794649

4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}benzoic acid

C17H23NO5

HCID22645176

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C#N)ccc3OCc3ccccc3)cc2)CC1

HCID22645130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc552cb98e7423fb33fdf86057f868e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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]([O:35][c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[OH:42])[cH:43][cH:44]2)[CH2:33][CH2:34]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[ClH:1].[NH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]1[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]1[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:40]([c:39]1[cH:38][cH:37][c:36]([O:35][CH:32]2[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]2)[cH:44][cH:43]1)=[O:41]