HRID680313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17987855

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3ncc(=O)[nH]c23)cc1

HCID46900750

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc4ncc(=O)[nH]c34)cc2)cc1

HCID44133728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88728cbf76db403f83614844356ad492
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:27]([CH3:28])([CH3:29])([CH3:30])[c:31]1[n:32][n:33](-[c:39]2[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]2)[c:34]([N:36]=[C:37]=[O:38])[cH:35]1.[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8][cH:9][cH:10][c:11]2[O:12][c:13]1[cH:14][cH:15][c:16]([NH:19][C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:17][cH:18]1>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8][cH:9][cH:10][c:11]2[O:12][c:13]1[cH:14][cH:15][c:16]([NH:19][C:20](=[O:26])[NH:36][c:34]2[n:33](-[c:39]3[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]3)[n:32][c:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:35]2)[cH:17][cH:18]1