HRID2123924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID11057211

未命名化合物

HCID17819531

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c3C)c2cc1OC

HCID44243184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a8d77d1d054972a82fc6fe44eca0fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[n:29][n:30](-[c:43]2[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]2)[c:31]([NH:33][C:34]([O:35][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:36])[cH:32]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:23])[c:18]([NH2:19])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([CH3:23])[c:18]([NH:19][C:34]([NH:33][c:31]4[n:30](-[c:43]5[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]5)[n:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:32]4)=[O:35])[cH:20][cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]