HRID106842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66172

5-Methyl-3-isoxazolamine

C4H6N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID166653

Hydride

H-

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC(C)(C)C(=O)O)c3)cc12

HCID59275557

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NC(C)(C)C(=O)Nc4cc(C)on4)c3)cc12

HCID59275512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffcadf16e5224b6d9953ec14bbc27cae
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

[CH3:45][c:46]1[cH:47][c:48]([NH2:51])[n:49][o:50]1.[CH3:59][OH:60].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[NH:35][C:36]([C:37](=[O:38])[OH:39])([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1.[H-:53].[Na+:52].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[NH:35][C:36]([C:37](=[O:39])[NH:51][c:48]4[cH:47][c:46]([CH3:45])[o:50][n:49]4)([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1