HRID195829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID22936234

未命名化合物

HCID22936374

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Oc3cc(N)ncn3)cc2)c1

HCID22936323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5023c36834240c1be449b7370c0532b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:43][S:44]([CH3:45])=[O:46].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1.[OH2:42].[c:16]1([O:22][C:23](=[O:17])[NH:24][c:25]2[cH:26][c:27]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:28][cH:29][cH:30]2)[cH:18][cH:19][cH:20][cH:21][cH:35]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][n:12]2)[cH:14][cH:15]1)[C:23](=[O:22])[NH:24][c:25]1[cH:26][c:27]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:28][cH:29][cH:30]1