HRID97986

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

HCID16733784

(Piperazin-1-yl)[2-(trifluoromethyl)phenyl]methanone

C12H13F3N2O

HCID55049154

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(-c2ccccc2)cc1

HCID44219135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6465485434594f9c86f16a24b6a9c765
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

[CH3:39][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].[N:52]1([C:58](=[O:59])[c:60]2[c:61]([C:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]2)[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[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:55]2[CH2:54][CH2:53][N:52]([C:58](=[O:59])[c:60]3[c:61]([C:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]3)[CH2:57][CH2:56]2)=[O:32])[cH:24][cH:25]1