HRID300473

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

HCID200557

未命名化合物

HCID58828797

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nocc2C(=O)N2CCC(O)(c3ccc(F)cc3)C2)cc1

HCID59170135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4e6b79d12e74c90b12827eeaf66d8f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B-:14]([F:15])([F:16])([F:17])[F:18].[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH3:45][c:46]1[cH:47][cH:48][c:49](-[c:52]2[n:53][o:54][cH:55][c:56]2[C:57](=[O:58])[OH:59])[cH:50][cH:51]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:13])[CH2:9][NH:10][CH2:11][CH2:12]2)[cH:6][cH:7]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[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>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:13])[CH2:9][N:10]([C:57]([c:56]3[c:52](-[c:49]4[cH:48][cH:47][c:46]([CH3:45])[cH:51][cH:50]4)[n:53][o:54][cH:55]3)=[O:58])[CH2:11][CH2:12]2)[cH:6][cH:7]1