HRID1129089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID136256

2,2,2-Trifluoroethyl acetate

C4H5F3O2

结构：CC(C)(C)C(=O)Nc1ccc2c(c1)OCC(C(F)(F)F)N2CC(F)(F)F

HCID21094395

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1ccc2c(c1C(=O)C(F)(F)F)OCC(C(F)(F)F)N2CC(F)(F)F

HCID21094402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-117996360ff54025ac6eefd808f56f12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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