HRID184683

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

HCID18174432

未命名化合物

PRODUCTS

生成物

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

HCID69342314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08dc28e99e3f4f54841d77729202d71d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:1]([F:2])([F:3])([F:4])[F:5].[CH3:36][O:37][C:38]([CH3:39])([CH3:40])[c:41]1[cH:42][cH:43][c:44]([C:45](=[O:46])[OH:47])[cH:48][cH:49]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[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:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64].[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:45]([c:44]2[cH:43][cH:42][c:41]([C:38]([O:37][CH3:36])([CH3:39])[CH3:40])[cH:49][cH:48]2)=[O:46])[cH:28][cH:29][cH:30]1)([F:34])[F:35]