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Ammonium → [2-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-8-fluoro-4-methylquinolin-5-yloxy]acetic Acid Methyl Ester

HRID 135528
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HRID 135528 반응식
[C:37](=[O:38])([O-:39])[O-:40].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([CH3:30])[c:9]([CH2:18][c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[cH:23][cH:24]3)[c:10](=[O:17])[nH:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[Cl-:51].[Cl:43][C:44]([F:45])([F:46])[O:47][C:48](=[O:49])[CH3:50].[K+:41].[K+:42].[NH4+:52]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([CH3:30])[c:9]([CH2:18][c:19]3[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[cH:23][cH:24]3)[c:10]([O:17][CH:44]([F:45])[F:46])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 68779494[3-(4-Ethanesulfonylbenzyl)-8-fluoro-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy]acetic acid methyl esterHCID 86613376Chlorodifluoromethyl acetate

생성물 1

HCID 68781836[2-difluoromethoxy-3-(4-ethanesulfonylbenzyl)-8-fluoro-4-methylquinolin-5-yloxy]acetic Acid Methyl Ester

출처 및 근거

ORD 기록
ord-bd6f811daf3d4dd29274b6c7abc102f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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