HRID1135747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID6410

tert-Butyl hydroperoxide

C4H10O2

HCID8058

n-Hexane

C6H14

HCID29060

2-Octen-1-ol

C8H16O

HCID62333

1,4-Diethyl 2,3-dihydroxybutanedioate

C8H14O6

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

PRODUCTS

生成物

HCID11480511

Oxiranemethanol, 3-pentyl-

C8H16O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b21a748e40f843c8bfe24a2a16639e74
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:24]([O:25][OH:26])([CH3:27])([CH3:28])[CH3:29].[CH2:15]([CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[OH:23].[CH2:1]([O:3][C:2]([CH:4]([CH:5]([C:6]([O:7][CH2:8][CH3:9])=[O:10])[OH:11])[OH:12])=[O:13])[CH3:14].[CH2:45]([Cl:46])[Cl:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH3:54][CH:55]([CH3:56])[O-:57].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[O-:30][S:31](=[O:32])(=[O:33])[O-:34].[OH2:71].[OH:35][CH:36]([C:37](=[O:38])[OH:39])[CH:40]([C:41](=[O:42])[OH:43])[OH:44].[Ti+4:58]>>[O:3]1[CH:16]([CH2:15][OH:23])[CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]