Trifluoroacetic acid → 3-[6-(4-Oxo-7-trifluoromethyl-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid

반응식

[O:1]=[c:2]1[n:3][c:4](-[c:16]2[cH:17][cH:18][cH:19][c:20]([CH2:22][CH2:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:21]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]2.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[O:1]=[c:2]1[n:3][c:4](-[c:16]2[cH:17][cH:18][cH:19][c:20]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[n:21]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]2

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 22939516tert-Butyl 3-[6-(4-oxo-7-trifluoromethyl-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propanoate

생성물 1

HCID 597503973-[6-(4-Oxo-7-trifluoromethyl-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid

출처 및 근거

ORD 기록: ord-9674c7fcad8f4d6b8f752d3c7bad779b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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