HRID2334369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID118946

4,6-Dimethoxy-2-pyrimidinamine

C6H9N3O2

结构：COC(=O)c1ccc(-c2ccccc2S(=O)(=O)N=C=O)o1

HCID13630968

Methyl 5-{2-[(oxomethylidene)sulfamoyl]phenyl}furan-2-carboxylate

C13H9NO6S

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccccc2S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)o1

HCID13366176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-152aa72a02e64de8b02180918a629ff8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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