HRID1230884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID676311

Tert-butyl (2-aminophenyl)carbamate

C11H16N2O2

HCID2761108

6-Cyanonicotinic acid

C7H4N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C#N)nc1

HCID69655660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8251038526cd46908d284d21e53f2c60
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

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