HRID1565100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2758642

N,N-dimethyl-2-piperazin-1-yl-acetamide

C8H17N3O

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)N(C)C)CC1

HCID178466262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad14c0465cb5482bbe8dd8fe39fb95f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[CH3:36][N:37]([C:38]([CH2:39][N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1)=[O:46])[CH3:47]>>[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:43]2[CH2:42][CH2:41][N:40]([CH2:39][C:38]([N:37]([CH3:36])[CH3:47])=[O:46])[CH2:45][CH2:44]2)[cH:9][cH:10]1.[ClH:32]