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Sodium Ion → Ethyl 3-(3,4-difluorophenyl)-3-oxo-2-((4-(trifluoromethyl)phenyl)methyl)propionate

HRID 1116412
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HRID 1116412 반응식
[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([CH2:25][Br:26])[cH:27][cH:28]1)([F:29])[F:30].[F:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])=[O:16])[cH:5][cH:6][c:7]1[F:8].[H-:17].[Na+:18].[OH2:31]>>[F:1][c:2]1[cH:3][c:4]([C:9]([CH:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH2:25][c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:29])[F:30])[cH:28][cH:27]2)=[O:16])[cH:5][cH:6][c:7]1[F:8]
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7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 166653HydrideHCID 2758339Ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate

생성물 1

HCID 22262129Ethyl 3-(3,4-difluorophenyl)-3-oxo-2-((4-(trifluoromethyl)phenyl)methyl)propionate

출처 및 근거

ORD 기록
ord-b260352bc23e4629a747e93b62072dd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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