HRID92837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID73935

Methyl chlorodifluoroacetate

C3H3ClF2O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O

HCID16099240

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1OC(F)F

HCID57809940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06e7dc1305944bf2905311a7936a4ee7
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

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