HRID2317802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

结构：COC(=O)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cc1OC

HCID54476463

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC2CN(C(=O)OC(C)(C)C)C2)ccc1C(=O)O

HCID54120951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86628eb9b008401d9de46c366501b783
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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