HRID91448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID45095672

tert-Butyl 4-amino-4-ethylpiperidine-1-carboxylate

C12H24N2O2

结构：COC(=O)c1ccnc2c1c(C=O)cn2C(=O)OC(C)(C)C

HCID58293521

未命名化合物

PRODUCTS

生成物

结构：CCC1(NCc2cn(C(=O)OC(C)(C)C)c3nccc(C(=O)OC)c23)CCN(C(=O)OC(C)(C)C)CC1

HCID67224496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9eaee4136244158b60c6300dc3a5d1
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:43]([BH3-:44])#[N:45].[CH3:39][C:40](=[O:41])[OH:42].[CH3:47][OH:48].[CH:1](=[O:2])[c:3]1[cH:4][n:5]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:6]2[n:7][cH:8][cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[c:11]12.[NH2:23][C:24]1([CH2:37][CH3:38])[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1.[Na+:46]>>[CH2:1]([c:3]1[cH:4][n:5]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[c:6]2[n:7][cH:8][cH:9][c:10]([C:12](=[O:13])[O:14][CH3:15])[c:11]12)[NH:23][C:24]1([CH2:37][CH3:38])[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1