HRID2142583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3831185

methyl 2-amino-3,3-dimethylbutanoate

C7H15NO2

HCID66704837

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(C(C1CCCCC1)[N+](=O)[O-])C(F)(F)F)C(C)(C)C

HCID66704841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcdd92a258494ea0aaef95b8766a4c1c
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

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