HRID2317208

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：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(N)cc1

HCID68468184

未命名化合物

PRODUCTS

生成物

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C)cc1

HCID25227475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd217e429c94dd0860b2d35e0cf0c3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[N:30](=[C:31]=[O:32])[c:33]1[c:34]([CH3:39])[n:35][o:36][c:37]1[CH3:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:28])=[N:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:14]2=[O:15])=[O:29])[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:28])=[N:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:14]2=[O:15])=[O:29])[cH:6][cH:7]1)[C:31]([NH:30][c:33]1[c:34]([CH3:39])[n:35][o:36][c:37]1[CH3:38])=[O:32]