HRID110658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

未命名化合物

结构：Cc1cc(C(=O)O)cc(-n2cc(-c3cccnc3)nn2)c1C

HCID21097296

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc(C)c(C)c(-n3cc(-c4cccnc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21097178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99955ce5b5ce41bd90eb471ba99a6c6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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