HRID695485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID693797

4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

C11H20N2O4

HCID11573492

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

HCID69048078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4369554ae5d94968943468ae52f35261
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([F:23])[c:4]([NH:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:18][CH3:19])[c:13]([CH:16]=[O:17])[cH:14][c:15]23)[cH:20][cH:21][cH:22]1.[NH2:24][C:25]1([C:38](=[O:39])[OH:40])[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]1>>[Cl:1][c:2]1[c:3]([F:23])[c:4]([NH:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][c:12]([O:18][CH3:19])[c:13]([CH2:16][NH:24][C:25]4([C:38](=[O:39])[OH:40])[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]4)[cH:14][c:15]23)[cH:20][cH:21][cH:22]1