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

HRID 318563
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HRID 318563 반응식
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][c:42]1[c:43]([B:51]2[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]2)[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1.[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].[F:60][C:61]([F:62])([F:63])[S:64]([O:65][c:66]1[cH:67][c:68]2[c:69]([cH:70][n:71]1)[o:72][c:73](-[c:79]1[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]1)[c:74]2[C:75]([NH:76][CH3:77])=[O:78])(=[O:86])=[O:87].[Na+:34].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH2:93]>>[CH3:41][c:42]1[c:43](-[c:66]2[cH:67][c:68]3[c:69]([cH:70][n:71]2)[o:72][c:73](-[c:79]2[cH:80][cH:81][c:82]([F:85])[cH:83][cH:84]2)[c:74]3[C:75]([NH:76][CH3:77])=[O:78])[cH:44][c:45]([C:46](=[O:47])[OH:48])[cH:49][cH:50]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 160860864-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidHCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate
HCID 866399602-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[2,3-c]pyridin-5-yl trifluoromethanesulfonate

생성물 1

HCID 672177373-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)furo[2,3-c]pyridin-5-yl)-4-methylbenzoic acid

출처 및 근거

ORD 기록
ord-ccd31a6bc600452b9ee2dc5892b2c956
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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