HRID669461

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

HCID57874442

未命名化合物

HCID57875818

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

C12H12F4N2O

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)c1ccc(-c2ccccc2)cn1

HCID25165328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa99d6ace0804f53921754549e79921a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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