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Bicarbonate Ion → Ethyl 5-(2-fluoro-4-methylphenyl)nicotinate

HRID 301114
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HRID 301114 반응식
[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1.[CH3:70][C:71]#[N:72].[CH:58]([NH:59][CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:13][c:14]1[c:15]([B:21]([OH:22])[OH:23])[cH:16][cH:17][c:18]([CH3:20])[cH:19]1.[Na+:69].[Na:24].[Na:25].[Na:26].[O-:65][C:66]([OH:67])=[O:68].[OH2:73].[P:27]([c:28]1[cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36][cH:37]1)([c:38]1[cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46][cH:47]1)[c:48]1[cH:49][c:50]([S:51]([OH:52])(=[O:53])=[O:54])[cH:55][cH:56][cH:57]1>>[c:2]1(-[c:15]2[c:14]([F:13])[cH:19][c:18]([CH3:20])[cH:17][cH:16]2)[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6342AcetonitrileHCID 7912DiisopropylamineHCID 140785Ethyl 5-bromopyridine-3-carboxylateHCID 2783132(2-Fluoro-4-methylphenyl)boronic acid
HCID 3675708
Tris(3-sulfophenyl)phosphine
HCID 5360545Sodium3회

생성물 1

HCID 67338384Ethyl 5-(2-fluoro-4-methylphenyl)nicotinate

출처 및 근거

ORD 기록
ord-c3ba9ab77a6a453d858b6abd8b7d4078
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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