HRID1137876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cccnc2)c1

HCID11266473

未命名化合物

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

HCID11404065

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

C19H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1NC(=O)CC(=O)c1cccc(-c2cccnc2)c1

HCID86589342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d80f1a6946a1434495d6ad084dd45371
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]([c:32]1[cH:33][c:34](-[c:38]2[cH:39][n:40][cH:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)=[O:44])[CH3:45]>>[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]([c:32]2[cH:33][c:34](-[c:38]3[cH:39][n:40][cH:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)=[O:44])[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]