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Acetic Acid → 5-{[1-(5-chloro-3-fluoro-2-methoxyphenyl)methylidene]amino}-7-fluoro-1H-quinolin-2-one

HRID 1116233
노트
인쇄 미리보기

반응식

HRID 1116233 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:26][C:27](=[O:28])[OH:29].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:14][c:15]1[cH:16][c:17]([F:25])[c:18]([O:23][CH3:24])[c:19]([CH:20]=[O:21])[cH:22]1.[F-:30].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6](=[O:13])[nH:7][c:8]2[cH:9][c:10]([F:12])[cH:11]1.[NH4+:31]>>[N:1]([c:2]1[c:3]2[cH:4][cH:5][c:6](=[O:13])[nH:7][c:8]2[cH:9][c:10]([F:12])[cH:11]1)=[CH:20][c:19]1[c:18]([O:23][CH3:24])[c:17]([F:25])[cH:16][c:15]([Cl:14])[cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 312751,4-DioxaneHCID 669694385-amino-7-fluoroquinolin-2(1H)-oneHCID 82404846
5-Chloro-3-fluoro-2-methoxybenzaldehyde

생성물 1

HCID 687372645-{[1-(5-chloro-3-fluoro-2-methoxyphenyl)methylidene]amino}-7-fluoro-1H-quinolin-2-one

출처 및 근거

ORD 기록
ord-39a60d425ad148b9a24c7916d2fa98b2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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