HRID2122695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2739289

3-(1,3-oxazol-5-yl)aniline

C9H8N2O

HCID23282848

1-(tert-Butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid

C12H21NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(-c3cnco3)c2)CC1

HCID67036759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5e92bf6c46c418ea8a58b479e005b1c
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

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