HRID807680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(=O)NC1CC(C2CC2)Nc2ccc(C(F)(F)F)nc21

HCID58926725

未命名化合物

HCID58926730

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CC(C2CC2)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21

HCID58926724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2805a375842e4472954c481a3b6159d2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([cH:7][cH:8]1)[NH:9][CH:10]([CH3:11])[CH2:12][CH:13]2[NH:14][C:15](=[O:16])[CH3:17].[CH3:46][N:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][n:53]1)[CH3:54].[CH:18]1([CH:21]2[NH:22][c:23]3[cH:24][cH:25][c:26]([C:35]([F:36])([F:37])[F:38])[n:27][c:28]3[CH:29]([NH:31][C:32]([CH3:33])=[O:34])[CH2:30]2)[CH2:19][CH2:20]1.[Cl:39][C:40](=[O:41])[O:42][CH:43]([CH3:44])[CH3:45].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[CH:18]1([CH:21]2[N:22]([C:40](=[O:41])[O:42][CH:43]([CH3:44])[CH3:45])[c:23]3[cH:24][cH:25][c:26]([C:35]([F:36])([F:37])[F:38])[n:27][c:28]3[CH:29]([NH:31][C:32]([CH3:33])=[O:34])[CH2:30]2)[CH2:19][CH2:20]1