HRID1238595

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

HCID130500

未命名化合物

结构：CC(C)(C)c1ccc(CNCCc2cccc(OC(F)(F)F)c2)cc1

HCID57438500

未命名化合物

HCID66868563

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1

HCID11635096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31056a7e8d19468888f08ef86166b8cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:14]([F:15])([F:16])([F:17])[F:18].[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][cH:51][c:52]([CH2:53][NH:54][CH2:55][CH2:56][c:57]2[cH:58][c:59]([O:63][C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62]2)[cH:68][cH:69]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[c:9]([C:11](=[O:13])[N:54]([CH2:53][c:52]2[cH:51][cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:69][cH:68]2)[CH2:55][CH2:56][c:57]2[cH:58][c:59]([O:63][C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62]2)[cH:10]1