HRID167618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712441

4-(4-Acetylpiperazin-4-yl)phenol

C12H16N2O2

HCID46836245

未命名化合物

PRODUCTS

产物

HCID46836433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fc50a58a1ab241fc9d67cb6007b2df1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[OH:48][c:49]1[cH:50][cH:51][c:52]([N:55]2[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]2)[cH:53][cH:54]1.[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38](-[c:41]5[c:42]([C:43]#[N:44])[cH:45][s:46][cH:47]5)[cH:39][cH:40]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38]([N:55]5[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]5)[cH:39][cH:40]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2