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Potassium Cation → Methyl 3-(3-{[(t-butoxycarbonyl)amino]methyl}-4-hydroxyphenyl)-6-fluorobenzoate

HRID 158488
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HRID 158488 반응식
[Br:26][c:27]1[cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[c:34]([F:37])[cH:35][cH:36]1.[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]([CH2:45][O:46][CH3:47])[O:48][CH3:49].[K+:42].[K+:43].[OH:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([O:7][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][c:14]([B:17]2[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]2)[cH:15][cH:16]1>>[OH:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([O:7][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])[cH:13][c:14](-[c:27]2[cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[c:34]([F:37])[cH:35][cH:36]2)[cH:15][cH:16]1
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반응물 5

HCID 813Potassium Cation2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 21525435Methyl 5-bromo-2-fluorobenzoateHCID 59219096Tert-butyl 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate

생성물 1

HCID 59219269
Methyl 3-(3-{[(t-butoxycarbonyl)amino]methyl}-4-hydroxyphenyl)-6-fluorobenzoate

출처 및 근거

ORD 기록
ord-83c4b57294c54f468eba60dfadf22caf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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