HRID1127405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2737591

3-Fluoro-4-(trifluoromethyl)phenylacetic acid

C9H6F4O2

结构：Cc1ccc2c(=O)n(CCN(C)C(=O)OC(C)(C)C)ccc2c1N

HCID66649213

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(=O)n(CCN(C)C(=O)OC(C)(C)C)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1

HCID86624819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b9cc209b0514fbbb6d5617ada2d3968
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:25][c:26]1[cH:27][c:28]([CH2:36][C:37](=[O:38])[OH:39])[cH:29][cH:30][c:31]1[C:32]([F:33])([F:34])[F:35].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:14][CH2:15][N:16]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH3:24])[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[CH3:12]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:14][CH2:15][N:16]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH3:24])[c:7](=[O:13])[c:8]2[cH:9][cH:10][c:11]1[CH3:12])[C:37]([CH2:36][c:28]1[cH:27][c:26]([F:25])[c:31]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:29]1)=[O:38]