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Sodium Ion → 3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[3,2-b]pyridin-5-yl)benzoic acid

HRID 1549663
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HRID 1549663 반응식
[B:41]([OH:42])([OH:43])[c:44]1[cH:45][c:46]([C:47](=[O:48])[OH:49])[cH:50][cH:51][cH:52]1.[Br:53][c:54]1[cH:55][cH:56][c:57]2[c:58]([n:59]1)[c:60]([C:70](=[O:71])[NH:72][CH3:73])[c:61](-[c:63]1[cH:64][cH:65][c:66]([F:69])[cH:67][cH:68]1)[o:62]2.[C:35](=[O:36])([O-:37])[O-:38].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[c:16]([O:17][CH3:18])[cH:19][cH:20][c:21]([S:22]([O-:23])(=[O:24])=[O:25])[c:26]2[O:27][CH3:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[Cs+:39].[Cs+:40].[Na+:34].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:79]>>[c:44]1(-[c:54]2[cH:55][cH:56][c:57]3[c:58]([n:59]2)[c:60]([C:70](=[O:71])[NH:72][CH3:73])[c:61](-[c:63]2[cH:64][cH:65][c:66]([F:69])[cH:67][cH:68]2)[o:62]3)[cH:45][c:46]([C:47](=[O:48])[OH:49])[cH:50][cH:51][cH:52]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 27339573-Carboxyphenylboronic acidHCID 592337485-bromo-2-(4-fluorophenyl)-N-methylfuro[3,2-b]pyridine-3-carboxamide
HCID 86314534
3-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

생성물 1

HCID 674051543-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[3,2-b]pyridin-5-yl)benzoic acid

출처 및 근거

ORD 기록
ord-fede500a2efd4f9d9d024c8a2591e98b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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