HRID143303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID49841002

未命名化合物

结构：Cc1ccncc1-n1nc(C(C)(C)C)cc1NC(=O)[O-]

HCID86653530

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cnccc4C)c3)c2cc1OC

HCID58267971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f274be990d84af0ab5ff5d8c9a45478
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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