HRID146411

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

HCID9899

2-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22120206

Ethyl β-oxo-1-piperazinepropanoate

C9H16N2O3

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

HCID57875824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-707f1adc5dd64f8b8ee1592f8c7dff34
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

[CH2:46]([CH3:47])[O:48][C:49]([CH2:50][C:51]([N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1)=[O:58])=[O:59].[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:44].[ClH:45].[F:20][C:21]([c:22]1[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]1)([F:31])[F:32].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[F:20][C:21]([c:22]1[c:23]([C:24](=[O:26])[N:55]2[CH2:54][CH2:53][N:52]([C:51]([CH2:50][C:49]([O:48][CH2:46][CH3:47])=[O:59])=[O:58])[CH2:57][CH2:56]2)[cH:27][cH:28][cH:29][cH:30]1)([F:31])[F:32]