HRID1569088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1355

1-(3-Chlorophenyl)piperazine

C10H13ClN2

HCID121718

1-(4-(Trifluoromethyl)phenyl)piperazine

C11H13F3N2

HCID178426547

未命名化合物

HCID178436612

未命名化合物

PRODUCTS

生成物

结构：CCC1CCC(NC(=O)C2CC2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1

HCID68460479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-460d6faaef59477ab22b9905a2376ab7
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

[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH2:5][CH:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([CH2:15][O:16][S:17]([CH3:18])(=[O:19])=[O:20])[CH2:14]2)[CH2:7][CH2:8]1.[CH3:21][CH:22]1[CH2:23][CH2:24][CH:25]([NH:26][C:27]([CH:28]2[CH2:29][CH:30]2[CH2:31][O:32][S:33]([CH3:34])(=[O:35])=[O:36])=[O:37])[CH2:38][CH2:39]1.[Cl:58][c:59]1[cH:60][c:61]([N:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:68][cH:69][cH:70]1.[ClH:40].[ClH:57].[F:41][C:42]([c:43]1[cH:44][cH:45][c:46]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:47][cH:48]1)([F:55])[F:56]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH2:5][CH:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([CH2:15][N:52]3[CH2:51][CH2:50][N:49]([c:46]4[cH:45][cH:44][c:43]([C:42]([F:41])([F:55])[F:56])[cH:48][cH:47]4)[CH2:54][CH2:53]3)[CH2:14]2)[CH2:7][CH2:8]1