HRID2132419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID23282848

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

C12H21NO4

HCID178507542

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(-c3nnn[nH]3)c2)CC1

HCID178451883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4343a9a3506f461ca667e153eb48293e
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.[Cl:24][C:25]([C:26]([Cl:27])=[O:28])=[O:29].[Cl:42][CH:43]([Cl:44])[CH3:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1.[nH:30]1[n:31][n:32][n:33][c:34]1-[c:35]1[cH:36][c:37]([NH2:41])[cH:38][cH:39][cH:40]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:41][c:37]2[cH:36][c:35](-[c:34]3[n:30][n:31][n:32][nH:33]3)[cH:40][cH:39][cH:38]2)([CH3:17])[CH2:12][CH2:13]1