HRID1139759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID784

Hydrogen peroxide

H2O2

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

结构：CC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(Sc4ccccc4)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

HCID18672837

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(C)(C)c1cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

HCID22034021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeafb48fc6054b5ab4bdc2c2354c8a49
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

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