HRID2159732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10821407

1-(4-aminophenyl)methanesulfonamide

C7H10N2O2S

结构：COc1ccc(N(C(=O)OC(C)(C)C)c2nc3cc(N(C)c4ccnc(Cl)n4)ccc3n2C)cc1

HCID59674233

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)OC(C)(C)C)c2nc3cc(N(C)c4ccnc(Nc5ccc(CS(N)(=O)=O)cc5)n4)ccc3n2C)cc1

HCID10290407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76de0238eebd4dcbadc0bcf9c83913a5
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([Cl:34])[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35].[NH2:36][c:37]1[cH:38][cH:39][c:40]([CH2:43][S:44](=[O:45])(=[O:46])[NH2:47])[cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[c:16]1[n:17][c:18]2[c:19]([n:20]1[CH3:21])[cH:22][cH:23][c:24]([N:26]([CH3:27])[c:28]1[n:29][c:30]([NH:36][c:37]3[cH:38][cH:39][c:40]([CH2:43][S:44](=[O:45])(=[O:46])[NH2:47])[cH:41][cH:42]3)[n:31][cH:32][cH:33]1)[cH:25]2)=[O:35]