HRID1566754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1004

Phosphoric acid

H3O4P

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID24682

Sulfur trioxide

O3S

HCID197148

Chlorite

ClO2-

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(CO)c3)c(F)c2)C(=O)O1

HCID18378806

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc(-n3cnc(C(=O)O)c3)c(F)c2)C(=O)O1

HCID18378808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df41b8f0a4264d29acf149a0f9d71304
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

[CH3:45][S:46]([CH3:47])=[O:48].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl+:41]([O-:42])[O-:43].[F:1][c:2]1[cH:3][c:4]([N:15]2[C:16](=[O:25])[O:17][CH:18]([CH2:20][NH:21][C:22]([CH3:23])=[O:24])[CH2:19]2)[cH:5][cH:6][c:7]1-[n:8]1[cH:9][n:10][c:11]([CH2:13][OH:14])[cH:12]1.[Na+:44].[OH2:49].[P:36](=[O:37])([OH:38])([OH:39])[OH:40].[S:26](=[O:27])(=[O:28])=[O:29].[n:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[F:1][c:2]1[cH:3][c:4]([N:15]2[C:16](=[O:25])[O:17][CH:18]([CH2:20][NH:21][C:22]([CH3:23])=[O:24])[CH2:19]2)[cH:5][cH:6][c:7]1-[n:8]1[cH:9][n:10][c:11]([C:13](=[O:14])[OH:27])[cH:12]1