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Bicarbonate Ion → 4,4-difluoro-3-methyl-3-butenyl 3-methyl-1-phenyl-1H-pyrazole-4-carboxylate

HRID 2123976
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인쇄 미리보기

반응식

HRID 2123976 반응식
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:21][S:22]([O:23][CH2:26][CH2:27][C:28](=[C:29]([F:30])[F:31])[CH3:32])(=[O:24])=[O:25].[CH3:6][c:7]1[n:8][n:9](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:10][c:11]1[C:12](=[O:13])[OH:14].[Na+:33].[OH2:38].[OH:34][C:35](=[O:36])[O-:37]>>[CH3:6][c:7]1[n:8][n:9](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:10][c:11]1[C:12](=[O:13])[O:14][CH2:26][CH2:27][C:28](=[C:29]([F:30])[F:31])[CH3:32]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 52300563-methyl-1-phenyl-1H-pyrazole-4-carboxylic acidHCID 230202374,4-Difluoro-3-Methyl-3-Buten-1-Yl Methanesulfonate

생성물 1

HCID 230203284,4-difluoro-3-methyl-3-butenyl 3-methyl-1-phenyl-1H-pyrazole-4-carboxylate

출처 및 근거

ORD 기록
ord-8b70166325764d01a1348a4298b6198b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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