HRID1224112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID28557

18-Crown-6

C12H24O6

HCID61778

Bisulfate anion

HO4S-

HCID69221

Glycine methyl ester

C3H7NO2

HCID73895

Benzene, 1-fluoro-2-nitro-

C6H4FNO2

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

HCID11252796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e9d6209998c418a92f6c0c562210c55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:2][O:3][C:4]([CH2:5][NH2:6])=[O:7].[CH3:53][C:54]#[N:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH2:13][CH3:14])([CH3:15])[CH3:16].[ClH:1].[F-:35].[F:37][c:38]1[c:39]([N+:44](=[O:45])[O-:46])[cH:40][cH:41][cH:42][cH:43]1.[K+:36].[K+:52].[O:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[S:47]([O-:48])([OH:49])(=[O:50])=[O:51]>>[CH3:2][O:3][C:4]([CH2:5][NH:6][c:38]1[c:39]([N+:44](=[O:45])[O-:46])[cH:40][cH:41][cH:42][cH:43]1)=[O:7]