HRID104493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID24811740

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid

C16H11FN2O3

HCID43346284

N,N-Dimethyl-2-[(piperidin-4-yl)oxy]acetamide

C9H18N2O2

PRODUCTS

生成物

结构：CN(C)C(=O)COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

HCID57791815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e204abdbb8da40ecb5dc32657eb77265
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:23][N:24]([C:25]([CH2:26][O:27][CH:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1)=[O:34])[CH3:35].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([CH2:11][c:12]2[n:13][nH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:9][cH:10]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[F:1][c:2]1[c:3]([C:4](=[O:6])[N:31]2[CH2:30][CH2:29][CH:28]([O:27][CH2:26][C:25]([N:24]([CH3:23])[CH3:35])=[O:34])[CH2:33][CH2:32]2)[cH:7][c:8]([CH2:11][c:12]2[n:13][nH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:9][cH:10]1