HRID303967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID688294

5-Fluoro-2-(trifluoromethyl)benzoic acid

C8H4F4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

HCID57875800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15f10ac736b2437b85a87ee55b1fa648
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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