HRID1221142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID7406

Cumene

C9H12

HCID18500

Perhydroxyl radical

HO2-

HCID81531

Diisopropylethylamine

C8H19N

HCID115139

Zirconium cation (4+)

Zr+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-cc13f5bc12114b19bd5cf225cb97d8fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:50]([OH:51])(=[O:52])[O-:53].[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.[CH3:66][CH:67]([CH3:68])[O-:69].[CH3:71][CH:72]([CH3:73])[O-:74].[CH3:75][CH:76]([CH3:77])[O-:78].[CH3:79][CH:80]([CH3:81])[O-:82].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH:62]([OH:63])([CH3:64])[CH3:65].[Na+:54].[Na+:60].[Na+:61].[O-:39][OH:40].[S:55]([O-:56])([O-:57])(=[O:58])=[S:59].[Zr+4:70].[c:41]1([CH:42]([CH3:43])[CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]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:51])[n:13][cH:14][c:15]2[CH3:16])[CH2:6][O:7]1