HRID293581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID66154

Chlorodifluoroacetic acid

C2HClF2O2

HCID5360545

Sodium

结构：CC(C)(C)OC(=O)n1[nH]c(=O)c2ccc(OCc3ccccc3)cc21

HCID59370717

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1nc(OC(F)F)c2ccc(OCc3ccccc3)cc21

HCID45280135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2ef4d2b7a594d71aa8c44b552e50ff4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13](=[O:25])[nH:14][n:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:16]2[cH:17]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:32][C:33]([C:34]([OH:35])=[O:36])([F:37])[F:38].[K+:30].[K+:31].[Na:39].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([O:25][CH:33]([F:37])[F:38])[n:14][n:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[c:16]2[cH:17]1