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Acetic Acid → 4-hydroxy-2-phenethyl-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyran-6-one

HRID 2125333
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HRID 2125333 반응식
[C:42]([BH3-:43])#[N:44].[CH3:36][C:37]([CH3:38])([OH:39])[C:40]#[N:41].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[Cl:60][CH2:61][Cl:62].[F:23][C:24]([c:25]1[c:26]([C:27]([Cl:28])=[O:29])[cH:30][cH:31][cH:32][cH:33]1)([F:34])[F:35].[Na+:45].[OH:1][C:2]1=[CH:3][C:4](=[O:22])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([CH2:27][c:26]2[c:25]([C:24]([F:23])([F:34])[F:35])[cH:33][cH:32][cH:31][cH:30]2)[C:4](=[O:22])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 176Acetic AcidHCID 923Sodium IonHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6406Acetone CyanohydrinHCID 8471TriethylamineHCID 675612-(Trifluoromethyl)benzoyl chlorideHCID 498716
Cyano-borohydride
HCID 546823015,6-dihydro-4-hydroxy-6-phenyl-6-(2-phenylethyl)-2H-pyran-2-one

생성물 1

HCID 547140754-hydroxy-2-phenethyl-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methyl]-3H-pyran-6-one

출처 및 근거

ORD 기록
ord-d699293d7a4448c884fb4a085cf8c233
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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