HRID1150619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID1140

Toluene

C7H8

HCID7406

Cumene

C9H12

HCID18500

Perhydroxyl radical

HO2-

HCID62333

1,4-Diethyl 2,3-dihydroxybutanedioate

C8H14O6

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID24880780

未命名化合物

PRODUCTS

产物

HCID12003212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a2ae34c6b9c24505935efac07007e36f
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

[C:31](=[O:32])([CH:33]([CH:34]([C:35]([O:36][CH2:37][CH3:38])=[O:39])[OH:40])[OH:41])[O:42][CH2:43][CH3:44].[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:8][O:9][c:10]2[c:11]([CH3:28])[c:12]([CH2:17][S:18][c:19]3[n:20][c:21]4[c:22]([nH:23]3)[cH:24][cH:25][cH:26][cH:27]4)[n:13][cH:14][c:15]2[CH3:16])[CH2:6][O:7]1.[CH3:65][CH:66]([CH3:67])[O-:68].[CH3:69][CH:70]([CH3:71])[O-:72].[CH3:73][CH:74]([CH3:75])[O-:76].[CH3:77][CH:78]([CH3:79])[O-:80].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Na+:61].[Na+:62].[Na+:64].[O-:45][OH:46].[OH-:63].[OH2:30].[S:56]([O-:57])([O-:58])(=[O:59])=[S:60].[Ti+4:81].[c:47]1([CH:48]([CH3:49])[CH3:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:8][O:9][c:10]2[c:11]([CH3:28])[c:12]([CH2:17][S:18]([c:19]3[nH:20][c:21]4[c:22]([n:23]3)[cH:24][cH:25][cH:26][cH:27]4)=[O:32])[n:13][cH:14][c:15]2[CH3:16])[CH2:6][O:7]1