HRID2316974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID949

N,N-Dimethylaniline

C8H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID18783930

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1=O

HCID18783908

Carbamic acid, [3-fluoro-4-(4-methyl-3-oxo-1-piperazinyl)phenyl]-, phenylmethyl ester

C19H20FN3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da7c95f82f8f44a2bc6484649d53d95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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