HRID146581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID104223

Phenethylamine, m-trifluoromethyl-

C9H10F3N

HCID130500

未命名化合物

HCID69342881

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)(C)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)c2)cc1

HCID69342851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-469e6327968343d49de61ac6c3e017f3
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

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:36][C:37]([CH2:38][CH2:39][CH3:40])([CH3:41])[c:42]1[cH:43][cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:31][CH2:32][NH2:33])[cH:28][cH:29][cH:30]1)([F:34])[F:35].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:31][CH2:32][NH:33][C:46]([c:45]2[cH:44][cH:43][c:42]([C:37]([CH3:36])([CH2:38][CH2:39][CH3:40])[CH3:41])[cH:50][cH:49]2)=[O:47])[cH:28][cH:29][cH:30]1)([F:34])[F:35]