HRID311057

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

HCID45073363

2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

C11H7FN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

HCID69122649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02e51b850e2643baada3603850833f7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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