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Bicarbonate Ion → 1-[2-chloro-5-(hydroxymethyl)phenyl]-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one

HRID 678690
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반응식

HRID 678690 반응식
[C:46](#[N:47])[CH3:48].[Cl:1][c:2]1[c:3](-[n:10]2[c:11](=[O:18])[cH:12][c:13]([OH:17])[cH:14][c:15]2[CH3:16])[cH:4][c:5]([CH2:8][OH:9])[cH:6][cH:7]1.[F:19][c:20]1[c:21]([CH2:22][Br:23])[cH:24][cH:25][c:26]([F:28])[cH:27]1.[K+:29].[K+:30].[Na+:39].[O-:31][C:32]([O-:33])=[O:34].[O-:35][C:36]([OH:37])=[O:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[Cl:1][c:2]1[c:3](-[n:10]2[c:11](=[O:18])[cH:12][c:13]([O:17][CH2:22][c:21]3[c:20]([F:19])[cH:27][c:26]([F:28])[cH:25][cH:24]3)[cH:14][c:15]2[CH3:16])[cH:4][c:5]([CH2:8][OH:9])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 769Bicarbonate IonHCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 902971-(Bromomethyl)-2,4-difluorobenzene
HCID 547241841-[2-chloro-5-(hydroxymethyl)phenyl]-4-hydroxy-6-methylpyridin-2(1H)-one

생성물 1

HCID 220502741-[2-chloro-5-(hydroxymethyl)phenyl]-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one

출처 및 근거

ORD 기록
ord-3062b21c0ecc4133860c62550d8984b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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