HRID1130863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

HCID59822374

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2cc(NC(=O)C3CCCCN3C(=O)OC(C)(C)C)ccc2Cl)cc1

HCID67372172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e64879f7a8fa45108901cf277ca51187
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:20](=[O:21])([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[N:27]1[CH:28]([C:33](=[O:34])[OH:35])[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([Cl:19])[cH:14][cH:15][c:16]([NH2:18])[cH:17]2)[cH:10][cH:11]1.[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([Cl:19])[cH:14][cH:15][c:16]([NH:18][C:33]([CH:28]3[N:27]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:32][CH2:31][CH2:30][CH2:29]3)=[O:34])[cH:17]2)[cH:10][cH:11]1