HRID286864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736266

4-Isocyanato-3,5-dimethyl-1,2-oxazole

C6H6N2O2

结构：CCCC1(c2ccc(F)cc2)N=C(C)N(CC(=O)c2ccc(N)cc2F)C1=O

HCID68462570

未命名化合物

PRODUCTS

生成物

结构：CCCC1(c2ccc(F)cc2)N=C(C)N(CC(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)C1=O

HCID25255471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e509238739f4b358df0daac7fdb6e47
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

[N:29](=[C:30]=[O:31])[c:32]1[c:33]([CH3:38])[n:34][o:35][c:36]1[CH3:37].[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:26])=[N:12][C:13]([CH2:16][CH2:17][CH3:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[C:14]2=[O:15])=[O:27])[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:26])=[N:12][C:13]([CH2:16][CH2:17][CH3:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[C:14]2=[O:15])=[O:27])[cH:6][cH:7]1)[C:30]([NH:29][c:32]1[c:33]([CH3:38])[n:34][o:35][c:36]1[CH3:37])=[O:31]