HRID282303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID67362752

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cc(COC3CCCCO3)no2)c1

HCID69688926

(RS)-3-oxo-3-{3-[3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-propionic acid tert.-butyl ester

C22H27NO6

PRODUCTS

生成物

结构：CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(COC4CCCCO4)no3)c2)cc1C(F)(F)F

HCID86586835

(RS)-[5-Dimethylamino-2-(3-oxo-3-{3-[3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-5-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert.-butyl ester

C32H37F3N4O7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a80a9cc8bec4f34910a5228b9fe825e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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