HRID690876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID61702587

未命名化合物

HCID68555288

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)NN1CC(C)(C)c2cc(F)ccc21

HCID25099518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c25f231a78604c3b94b3caeb9e91bfbf
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

[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[F:27][c:28]1[cH:29][c:30]2[c:34]([cH:35][cH:36]1)[N:33]([NH2:37])[CH2:32][C:31]2([CH3:38])[CH3:39].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:37][N:33]3[CH2:32][C:31]([CH3:38])([CH3:39])[c:30]4[cH:29][c:28]([F:27])[cH:36][cH:35][c:34]43)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1