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1-Butanol → Oxalic Acid

HRID 154296
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HRID 154296 반응식
[C:37](=[O:38])([O-:39])[O-:40].[C:45]([C:46](=[O:47])[O-:48])(=[O:49])[O-:50].[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[Cl:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[I-:44].[K+:41].[K+:42].[K+:43]>>[C:45]([C:46](=[O:47])[OH:48])(=[O:49])[OH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH2:23][CH2:24][CH2:25][O:26][c:27]3[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 2631-ButanolHCID 813Potassium Cation3회HCID 19660Carbonate IonHCID 30165Iodide IonHCID 71081OxalateHCID 132105144-(3-Chloropropoxy)-1,2-dimethoxybenzeneHCID 132505444-[Bis(4-fluorophenyl)methyl]piperidine

생성물 2

HCID 971Oxalic AcidHCID 144070914-[Bis(4-fluorophenyl)methyl]-1-[3-(3,4-dimethoxyphenoxy)propyl]piperidine

출처 및 근거

ORD 기록
ord-a76422b7049244e197f6cdf392126aef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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