HRID145336

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

HCID667619

1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

C10H11ClF3N3

HCID178436612

未命名化合物

PRODUCTS

生成物

结构：CCC1CCC(NC(=O)C2CC2CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1

HCID178436611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cb9597b8ea14fa9af751801a82a0b81
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

[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.[Cl:22][c:23]1[c:24]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[n:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[Cl:40][c:41]1[cH:42][c:43]([N:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[cH:50][cH:51][cH:52]1.[ClH:21].[ClH:39]>>[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:36]3[CH2:35][CH2:34][N:33]([c:24]4[c:23]([Cl:22])[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26][n:25]4)[CH2:38][CH2:37]3)[CH2:14]2)[CH2:7][CH2:8]1