HRID1138460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2782689

4-(4-Fluorophenyl)benzoic acid

C13H9FO2

HCID56747647

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CC2CC2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1

HCID59527939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23d723e677c44d2398f228e504aa26ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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