HRID1554638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2737701

5-Fluoropyridin-2(1H)-imine

C5H5FN2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1nc(C)sc1Nc1cccc(S(N)(=O)=O)c1

HCID67549553

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccc(S(N)(=O)=O)c2)s1

HCID86606572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74b93fed7a3d469bb6e8e09d69a0b2ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:13]([O:15][C:16](=[O:14])[c:18]1[n:19][c:20]([CH3:34])[s:21][c:22]1[NH:23][c:24]1[cH:25][c:26]([S:30]([NH2:31])(=[O:32])=[O:33])[cH:27][cH:28][cH:29]1)[CH3:17].[CH3:9][Al:10]([CH3:11])[CH3:12].[NH2:1][c:2]1[n:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[Na+:35].[Na+:36].[O-:37][S:38](=[O:39])(=[O:40])[O-:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48]>>[NH:1]([c:2]1[n:3][cH:4][c:5]([F:8])[cH:6][cH:7]1)[C:16](=[O:15])[c:18]1[n:19][c:20]([CH3:34])[s:21][c:22]1[NH:23][c:24]1[cH:25][c:26]([S:30]([NH2:31])(=[O:32])=[O:33])[cH:27][cH:28][cH:29]1