HRID692809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID81531

Diisopropylethylamine

C8H19N

HCID606853

Methyl pentafluorobenzoate

C8H3F5O2

PRODUCTS

生成物

结构：COC(=O)c1c(F)c(F)c(NCc2ccccc2)c(F)c1F

HCID14292030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a44d7ea483314d72bbed183754a84f63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:16][N:17]1[CH2:18][CH2:19][CH2:20][C:21]1=[O:22].[CH3:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[F:1][c:2]1[c:3]([F:15])[c:4]([F:14])[c:5]([F:13])[c:6]([F:12])[c:7]1[C:8](=[O:9])[O:10][CH3:11].[NH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[F:1][c:2]1[c:3]([F:15])[c:4]([NH:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:5]([F:13])[c:6]([F:12])[c:7]1[C:8](=[O:9])[O:10][CH3:11]