HRID205800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID100622

1-(4-Morpholinyl)-2-(1-piperazinyl)ethanone

C10H19N3O2

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(F)cc2)C(c2ccc(F)cc2)N1C(=O)Cl

HCID178466261

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(F)cc2)C(c2ccc(F)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1

HCID72987658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ac3da58593d4268b18fe6ba84400e75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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