HRID1573646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID24465

未命名化合物

HCID5360545

Sodium

结构：CSc1nccc(-c2cc(N(C)C)nnc2-c2cccc(C(F)(F)F)c2)n1

HCID18176616

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cc(-c2ccnc(S(C)(=O)=O)n2)c(-c2cccc(C(F)(F)F)c2)nn1

HCID18176627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af31b71069874a17924a36333e4fb861
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

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