HRID158282

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

HCID4908648

未命名化合物

HCID16733784

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

C12H13F3N2O

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc2[nH]ccc2c1

HCID59559659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c84fd84fa0b4d1fa2794b9ca74f86eb
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

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