HRID672120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3588736

4-(Trifluoromethyl)hydrocinnamic acid

C10H9F3O2

HCID14788189

2-(5-Methylthiophen-2-yl)ethan-1-amine

C7H11NS

PRODUCTS

生成物

结构：Cc1ccc(CCNC(=O)CCc2ccc(C(F)(F)F)cc2)s1

HCID59819988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-934c2f79a47d4ab998e7cf31970d724a
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

[B-:16]([F:17])([F:18])([F:19])[F:20].[CH2:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH:43]([CH3:44])[CH3:45])[CH3:46].[CH3:47][c:48]1[cH:49][cH:50][c:51]([CH2:53][CH2:54][NH2:55])[s:52]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C:9](=[O:10])[OH:11])[cH:12][cH:13]1)([F:14])[F:15].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][C:9](=[O:11])[NH:55][CH2:54][CH2:53][c:51]2[cH:50][cH:49][c:48]([CH3:47])[s:52]2)[cH:12][cH:13]1)([F:14])[F:15]