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

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 22939347tert-Butyl 3-[6-(7-chloro-4-oxo-4H-1,3-benzothiazin-2-yl)-4-methyl-2-pyridyl]propanoate

생성물 1

HCID 102920373-[6-(7-Chloro-4-oxo-4H-1,3-benzothiazin-2-yl)-4-methyl-2-pyridyl]propionic acid

출처 및 근거

ORD 기록: ord-b55d83bb8a5d4761935548277b026dd8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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