HRID2141257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID7806

p-Bromoclorobenzene

C6H4BrCl

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

HCID4459028

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosinate

C15H21NO5

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Oc2ccc(Cl)cc2)cc1)NC(=O)OC(C)(C)C

HCID67351667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db8c9e36f2a04119b45a7d5604561871
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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