HRID187781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83172

Benzyl succinimido carbonate

C12H11NO5

HCID53426661

Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

C10H17NO2

PRODUCTS

生成物

结构：COC(=O)C12CCC(NC(=O)OCc3ccccc3)(CC1)CC2

HCID23149677

Methyl 4-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.2]octane-1-carboxylate

C18H23NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b37ce57d5fd4f6e9c831c71be9e4955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:15](=[O:16])([O-:17])[O-:18].[C:21]([O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([O:30][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38])=[O:31].[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[ClH:1].[NH2:2][C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH3:14])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[Na+:19].[Na+:20].[OH2:45]>>[NH:2]([C:3]12[CH2:4][CH2:5][C:6]([C:11](=[O:12])[O:13][CH3:14])([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[C:21]([O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30]