HRID1140594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1N

HCID11404065

1,1-Dimethylethyl N-[2-amino-4-(2-phenylethynyl)phenyl]carbamate

C19H20N2O2

结构：Cc1cn(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)c(C)n1

HCID69592806

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cccc(C(=O)CC(=O)Nc3cc(C#Cc4ccccc4)ccc3NC(=O)OC(C)(C)C)c2)c(C)n1

HCID86588045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-983cf1568ddf4bad80d5197edd0c34ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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