Acetic Acid → N-{5-[(5-aminopyridin-2-yl)oxy]-2-chlorophenyl}-2,2,2-trifluoroacetamide

반응식

[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[c:3]([NH:18][C:19]([C:20]([F:21])([F:22])[F:23])=[O:24])[cH:4][c:5]([O:8][c:9]2[n:10][cH:11][c:12]([N+:15]([O-:16])=[O:17])[cH:13][cH:14]2)[cH:6][cH:7]1.[Fe:29]>>[Cl:1][c:2]1[c:3]([NH:18][C:19]([C:20]([F:21])([F:22])[F:23])=[O:24])[cH:4][c:5]([O:8][c:9]2[n:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]2)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 23925Iron

HCID 57384281N-{2-chloro-5-[(5-nitropyridin-2-yl)oxy]phenyl}-2,2,2-trifluoroacetamide

생성물 1

HCID 57387327N-{5-[(5-aminopyridin-2-yl)oxy]-2-chlorophenyl}-2,2,2-trifluoroacetamide

출처 및 근거

ORD 기록: ord-36604e5c20ba441e80bfa67af0e818d8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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