HRID101435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

HCID3328325

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1

HCID53804735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-869e236d01af413dbed5de71c111b9e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[ClH:1].[ClH:2].[F:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1.[N+:23]([c:24]1[cH:25][cH:26][c:27]([O:32][C:33](=[O:28])[CH:34]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:29][cH:30]1)([O-:31])=[O:50].[OH2:51]>>[F:3][c:4]1[cH:5][cH:6][c:7]([N:10]2[CH2:11][CH2:12][N:13]([C:33](=[O:32])[CH:34]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:14][CH2:15]2)[cH:8][cH:9]1