HRID2141862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

HCID21097330

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccccn4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d21fa7c45caa49e89d77e0a28f92b344
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

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