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Acetone → Oxalic Acid

HRID 212904
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인쇄 미리보기

반응식

HRID 212904 반응식
[C:40]([C:41](=[O:42])[OH:43])(=[O:44])[OH:45].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][C:6]([OH:7])([c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1)[c:15]1[c:16]([CH2:23][OH:24])[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]1)[CH3:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][S:34]([Cl:35])(=[O:36])=[O:37].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:46][CH2:47][Cl:48].[OH2:38].[OH2:39].[OH2:53]>>[C:40]([C:41](=[O:42])[OH:43])(=[O:44])[OH:45].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][C:6]1([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[O:7][CH2:23][c:16]2[c:15]1[cH:22][cH:21][c:18]([C:19]#[N:20])[cH:17]2)[CH3:25]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 180AcetoneHCID 962Water3회HCID 971Oxalic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 101321644-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile

생성물

2
HCID 971Oxalic AcidHCID 2771Citalopram

출처 및 근거

ORD 기록
ord-742a520557ca459283c4fddfdb8c9603
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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