HRID135614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID19660

Carbonate

CO3-2

结构：COc1ccnc(CSc2nc3cc(OC(F)F)ccc3[nH]2)c1OC

HCID178493201

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

HCID178493215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7629c9b45d3e4c789f655024009d2a0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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