HRID1146088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID587236

2-Amino-4-methoxy-6-methylpyrimidine

C6H9N3O

结构：CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N=C=O

HCID12819607

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

HCID12819608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7b370a3601c4c319304f37bc3415d5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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