HRID688924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2756043

tert-Butyl {[3-(aminomethyl)phenyl]methyl}carbamate

C13H20N2O2

HCID5250894

未命名化合物

HCID61702587

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1

HCID69123142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d95835c154144f3a09d11d2b52933a2
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:18]([c:19]1[nH:20][cH:21][cH:22][n:23]1)([c:24]1[nH:25][cH:26][cH:27][n:28]1)=[O:29].[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35]([NH:36][CH2:37][c:38]1[cH:39][c:40]([CH2:44][NH2:45])[cH:41][cH:42][cH:43]1)=[O:46].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[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:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:45][CH2:44][c:40]3[cH:39][c:38]([CH2:37][NH:36][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:46])[cH:43][cH:42][cH:41]3)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1