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Acetate → Methyl 3-[(tert-butylthio)diazenyl]-6-fluoro-2-methylbenzoate

HRID 98725
노트
인쇄 미리보기

반응식

HRID 98725 반응식
[CH3:19][C:20](=[O:21])[O-:22].[CH3:23][C:24]([CH3:25])([CH3:26])[SH:27].[CH3:30][CH2:31][OH:32].[ClH:28].[K+:18].[N:14]([O-:15])=[O:16].[NH2:1][c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([F:12])[cH:10][cH:11]1.[Na+:17].[OH2:29]>>[N:1]([c:2]1[c:3]([CH3:13])[c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([F:12])[cH:10][cH:11]1)=[N:14][S:27][C:24]([CH3:23])([CH3:25])[CH3:26]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium CationHCID 923Sodium IonHCID 946NitriteHCID 962WaterHCID 6387tert-Butyl mercaptanHCID 59334575Benzoic acid, 3-amino-6-fluoro-2-methyl-, methyl ester

생성물 1

HCID 59334531Methyl 3-[(tert-butylthio)diazenyl]-6-fluoro-2-methylbenzoate

출처 및 근거

ORD 기록
ord-cd56034b6f774a5597e04854e4497de2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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