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

반응식

[CH:27]([O:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[O:1]=[c:2]1[n:3][c:4](-[c:12]2[n:13][cH:14][cH:15][c:16]([CH2:18][CH2:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[O:1]=[c:2]1[n:3][c:4](-[c:12]2[n:13][cH:14][cH:15][c:16]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7914Diisopropyl Ether

HCID 22939427HCID 22939427, 화합물

생성물 1

HCID 597503013-[2-(4-Oxo-4H-1,3-benzothiazin-2-yl)-4-pyridyl]propionic acid

출처 및 근거

ORD 기록: ord-012a2cccec84445586da6edabc7ea150
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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