HRID282163

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID55049154

未命名化合物

HCID57875818

[5-Fluoro-2-(trifluoromethyl)phenyl]-1-piperazinylmethanone

C12H12F4N2O

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)Nc1ccc(-c2ccccc2)cc1

HCID44230806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43b5c4b2c4994945aa84884f2d0c2417
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

[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:50].[ClH:51].[F:52][C:53]([c:54]1[c:55]([C:61](=[O:62])[N:63]2[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]2)[cH:56][c:57]([F:60])[cH:58][cH:59]1)([F:69])[F:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:20]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][C:29](=[O:30])[OH:31])=[O:32])[cH:24][cH:25]1>>[c:20]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][C:29](=[O:31])[N:66]2[CH2:65][CH2:64][N:63]([C:61]([c:55]3[c:54]([C:53]([F:52])([F:69])[F:70])[cH:59][cH:58][c:57]([F:60])[cH:56]3)=[O:62])[CH2:68][CH2:67]2)=[O:32])[cH:24][cH:25]1