HRID2162039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7761

Diethyl propanedioate

C7H12O4

HCID8082

Piperidine

C5H11N

HCID8900

Heptane

C7H16

HCID22034247

tert-Butyl (5-formylpyridin-2-yl)carbamate

C11H14N2O3

PRODUCTS

生成物

结构：CCOC(=O)C(=Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OCC

HCID54337991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c041d2cca8b54f8e89fbacb911563d1b
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:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17]([NH:18][c:19]1[n:20][cH:21][c:22]([CH:25]=[O:26])[cH:23][cH:24]1)=[O:27].[C:1]([CH2:2][C:3](=[O:4])[O:5][CH2:6][CH3:7])(=[O:8])[O:9][CH2:10][CH3:11].[CH2:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH2:38]([Cl:39])[Cl:40].[CH3:34][C:35](=[O:36])[OH:37].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[C:1]([C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])=[CH:25][c:22]1[cH:21][n:20][c:19]([NH:18][C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:27])[cH:24][cH:23]1)(=[O:8])[O:9][CH2:10][CH3:11]