HRID2137382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID164401

3-Aminopyrrolidine

C4H10N2

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(C3CC3)no2)C1

HCID58002632

未命名化合物

PRODUCTS

生成物

结构：NC1CCN(C(=O)N2CC(c3ccc(OC(F)(F)F)cc3)CC(c3nc(C4CC4)no3)C2)C1

HCID58002726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dac424ecafbc41649ad99e6aad5a4801
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:1]1([c:4]2[n:5][o:6][c:7]([CH:9]3[CH2:10][N:11]([C:26](=[O:27])[O:28][c:29]4[cH:30][cH:31][c:32]([N+:33]([O-:34])=[O:35])[cH:36][cH:37]4)[CH2:12][CH:13]([c:15]4[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]4)[CH2:14]3)[n:8]2)[CH2:2][CH2:3]1.[ClH:38].[NH2:39][CH:40]1[CH2:41][NH:42][CH2:43][CH2:44]1>>[CH:1]1([c:4]2[n:5][o:6][c:7]([CH:9]3[CH2:10][N:11]([C:26](=[O:27])[N:42]4[CH2:41][CH:40]([NH2:39])[CH2:44][CH2:43]4)[CH2:12][CH:13]([c:15]4[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]4)[CH2:14]3)[n:8]2)[CH2:2][CH2:3]1