HRID1549395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(NC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)c(C=O)c3c2)c1)c1ccccc1

HCID59233802

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)c1cccc(-c2cnc3oc(-c4ccc(F)cc4)c(C(=O)O)c3c2)c1)c1ccccc1

HCID59233668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa821aa75564c8ebc174042a8a3eaa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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