HRID90628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11334366

Tert-butyl 4-bromobenzoate

C11H13BrO2

HCID53393319

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)OC(C)(C)C)cc3)c(Cl)cc21

HCID67080248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d17ec6c3ca1648fa8b34a41415ce1fc7
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:33][N:34]([CH3:35])[CH2:36][C:37]([OH:38])=[O:39].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:40].[Cl:15][c:16]1[cH:17][c:18]2[c:23]([cH:24][c:25]1[OH:26])[O:22][CH2:21][CH2:20][CH:19]2[C:27](=[O:28])[O:29][CH2:30][CH3:31].[ClH:32].[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:2]1([O:26][c:25]2[c:16]([Cl:15])[cH:17][c:18]3[c:23]([cH:24]2)[O:22][CH2:21][CH2:20][CH:19]3[C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1