HRID142616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8857

Ethyl acetate

C4H8O2

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID11288356

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(OCc2ccccc2)ccc1NC1CCN(C(=O)OC(C)(C)C)CC1

HCID59587203

1,1-Dimethylethyl 4-{[4-(benzyloxy)-2-(methoxycarbonyl)phenyl]amino}piperidine-1-carboxylate

C25H32N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b467a4b45f2b4e94a4f68d8eaaab7856
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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