HRID91298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7503

Benzyl chloride

C7H7Cl

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)C(C(=O)O)C2

HCID17039427

2-(tert-Butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C17H23NO6

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)C(C(=O)OCc1ccccc1)C2

HCID70026863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97c162ec86af4aebbb6e5ea1e4cefa0e
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

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