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Potassium Cation → Ethyl 3-(4-fluorophenyl)-3-oxo-2-((4-(trifluoromethyl)phenyl)methyl)propionate

HRID 1223790
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HRID 1223790 반응식
[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][C:35]#[N:36].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([CH2:22][Br:23])[cH:24][cH:25]1)([F:26])[F:27].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])=[O:15])[cH:6][cH:7]1.[K+:32].[K+:33].[OH2:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:22][c:21]2[cH:20][cH:19][c:18]([C:17]([F:16])([F:26])[F:27])[cH:25][cH:24]2)=[O:15])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

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7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 2758844Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate

생성물 1

HCID 22261487Ethyl 3-(4-fluorophenyl)-3-oxo-2-((4-(trifluoromethyl)phenyl)methyl)propionate

출처 및 근거

ORD 기록
ord-77720ce0aed64099a2a7002d75c31f7f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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