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Bicarbonate Ion → 5-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyridazin-4(1H)-one

HRID 955763
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HRID 955763 반응식
[Br:1][c:2]1[n:3][n:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:20][c:21]2[F:22])[O:15][C:16]([F:18])([F:19])[O:17]3)[cH:5][c:6]([O:9][CH3:10])[c:7]1=[O:8].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[K+:43].[K+:44].[Na+:61].[O-:45][C:46]([O-:47])=[O:48].[O-:57][C:58]([OH:59])=[O:60].[OH2:56].[c:23]1(-[n:29]2[n:30][cH:31][cH:32][c:33]2[B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[c:2]1(-[c:33]2[n:29](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:30][cH:31][cH:32]2)[n:3][n:4](-[c:11]2[cH:12][c:13]3[c:14]([cH:20][c:21]2[F:22])[O:15][C:16]([F:18])([F:19])[O:17]3)[cH:5][c:6]([O:9][CH3:10])[c:7]1=[O:8]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 580723671-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
HCID 59436254
3-bromo-5-methoxy-1-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyridazin-4(1H)-one

생성물 1

HCID 580723305-Methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyridazin-4(1H)-one

출처 및 근거

ORD 기록
ord-bcb1cd13f5ed41aa94384ae6a516552f
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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