HRID150334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17819531

未命名化合物

结构：CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

HCID46196894

Phenyl N-[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]carbamate

C20H21N3O2

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c3C)c2cc1OC

HCID44243183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28079d347f02466f977272845de2d790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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