HRID700923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID723833

4-(N-Boc-amino)piperidine

C10H20N2O2

HCID57815194

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

HCID57815396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa5534cedfc14e42a2bb955452c0a7e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][n:5][c:6]2[cH:7][cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:41][OH:42].[CH:37]([Cl:38])([Cl:39])[Cl:40].[NH:17]1[CH2:18][CH2:19][CH:20]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:21][CH2:22]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH2:31]>>[CH3:1][O:2][c:3]1[cH:4][n:5][c:6]2[cH:7][cH:8][c:9](=[O:16])[n:10]([CH2:13][CH2:14][N:17]3[CH2:18][CH2:19][CH:20]([NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:21][CH2:22]3)[c:11]2[cH:12]1