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Ethanol → Tert-butyl 5-chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate

HRID 143629
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반응식

HRID 143629 반응식
[C:40](=[O:41])([OH:42])[O-:43].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][OH:52].[Cl:16][CH2:17][CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[P:28]([O:29][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])=[O:35].[F:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1-[n:10]1[cH:11][n:12][c:13]([CH3:15])[cH:14]1.[Li+:38].[Na+:44].[OH-:37].[OH2:36].[OH2:39]>>[F:1][c:2]1[cH:3][c:4]([CH:5]=[C:20]([CH2:19][CH2:18][CH2:17][Cl:16])[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:7][cH:8][c:9]1-[n:10]1[cH:11][n:12][c:13]([CH3:15])[cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 707008423-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde
HCID 86602480Tert-butyl 5-chloro-2-(diethoxyphosphoryl)valerate

생성물 1

HCID 77588505Tert-butyl 5-chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate

출처 및 근거

ORD 기록
ord-eb850ad7e13e47daa42ee792c2d4591b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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