HRID2329795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID231360

Piperazin-2-one

C4H8N2O

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)N1CCNC(=O)C1

HCID73061545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b069810bb9e149baa310b6fd21a966cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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.[NH:36]1[C:37](=[O:42])[CH2:38][NH:39][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:39]2[CH2:38][C:37](=[O:42])[NH:36][CH2:41][CH2:40]2)[cH:9][cH:10]1.[ClH:32]