HRID690746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N

HCID59737201

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1csc(-n2ccnc2)n1

HCID69592768

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1csc(-n2ccnc2)n1

HCID86588068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7df2401ea6f34e10863b90e04488335b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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