HRID667557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID10219638

di-tert-butylcarbonate

C9H18O3

结构：CC(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434907

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C(=O)OC(C)(C)C)c1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-843640ee32a04f47aeed18edd0e25030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1.[C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])([O:41][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:42].[CH3:26][N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][n:33]1)[CH3:34].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[OH2:47]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([F:25])[cH:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([c:15](=[O:17])[cH:16]2)[c:18]([NH2:24])[c:19]([F:23])[cH:20][c:21]3[F:22])[cH:9][cH:10]1)[C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41]