HRID2341548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID688611

tert-Butyl (4-aminophenyl)carbamate

C11H16N2O2

结构：CS(=O)(=O)c1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)cc2ccnn12

HCID67319776

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(Nc2nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc3ccnn23)cc1

HCID67319245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1266aec81314db4a381b0a8d76fa9cd
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

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