Trifluoroacetic acid → 2-[[(5-Amino-1,2,4-thiadiazol-3-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid

반응식

[CH3:23][O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[NH2:1][c:2]1[n:3][c:4]([C:7]([C:8](=[O:9])[OH:10])=[N:11][O:12][C:13]([CH3:14])([CH3:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[n:5][s:6]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[NH2:1][c:2]1[n:3][c:4]([C:7]([C:8](=[O:9])[OH:10])=[N:11][O:12][C:13]([CH3:14])([CH3:15])[C:16](=[O:17])[OH:18])[n:5][s:6]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7519Anisole

HCID 537043422-(5-Amino-1,2,4-thiadiazol-3-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid

생성물 1

HCID 540254892-[[(5-Amino-1,2,4-thiadiazol-3-yl)-carboxymethylidene]amino]oxy-2-methylpropanoic acid

출처 및 근거

ORD 기록: ord-c31a1c8362354b1db0968ba98b9221a2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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