HRID2161661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12415

Propane, 1-bromo-2,2-dimethyl-

C5H11Br

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2O)nc2sccn12

HCID67549495

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C=Cc2cccc(OC(F)F)c2OCC(C)(C)C)nc2sccn12

HCID68406307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7631b4cb16ff4ecc8fa81d3c90febbbc
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:33][CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38].[C:27](=[O:28])([O-:29])[O-:30].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cs+:31].[Cs+:32].[F:1][CH:2]([O:3][c:4]1[c:5]([OH:25])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:7][cH:8][cH:9]1)[F:26].[OH2:50]>>[F:1][CH:2]([O:3][c:4]1[c:5]([O:25][CH2:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:6]([CH:10]=[CH:11][c:12]2[n:13][c:14]3[s:15][cH:16][cH:17][n:18]3[c:19]2[C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:7][cH:8][cH:9]1)[F:26]