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2,3-Dihydroxybutanedioic Acid → (3-Butyloxiran-2-YL)methanol

HRID 152031
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HRID 152031 반응식
[C:1]([O:2][CH:4]([CH3:5])[CH3:6])(=[O:7])[CH:8]([OH:3])[CH:9]([C:10]([O:11][CH:12]([CH3:13])[CH3:14])=[O:15])[OH:16].[C:25]([O:26][OH:27])([CH3:28])([CH3:29])[CH3:30].[CH2:17]([CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][CH3:23])[OH:24].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Cl:89][CH2:90][Cl:91].[Fe+3:70].[Fe+3:81].[OH2:58].[OH2:59].[OH2:60].[OH2:61].[OH2:62].[OH2:63].[OH2:64].[OH:31][CH:32]([C:33](=[O:34])[OH:35])[CH:36]([C:37](=[O:38])[OH:39])[OH:40].[S:65]([O-:66])([O-:67])(=[O:68])=[O:69].[S:71]([O-:72])([O-:73])(=[O:74])=[O:75].[S:76]([O-:77])([O-:78])(=[O:79])=[O:80].[Ti+4:57]>>[O:3]1[CH:18]([CH2:17][OH:24])[CH:19]1[CH2:20][CH2:21][CH2:22][CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 8752,3-Dihydroxybutanedioic AcidHCID 962Water7회HCID 1117Sulfate Ion3회HCID 1140TolueneHCID 6344DichloromethaneHCID 6410tert-Butyl hydroperoxideHCID 29936Ferric cation2회
HCID 36504
Hept-2-en-1-ol
HCID 102768Diisopropyl 2,3-dihydroxysuccinate
HCID 114942Titanium cation (4+)
HCID 3260420Isopropanolate4회

생성물 1

HCID 12839901(3-Butyloxiran-2-YL)methanol

출처 및 근거

ORD 기록
ord-c089cf2e2ab24ca1a14d69774c0b73ec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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