1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid → 7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid

반응식

[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[CH:21]12[NH:22][CH2:23][CH2:24][CH2:25][CH:26]1[CH2:27][NH:28][CH2:29]2>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:28]4[CH2:27][CH:26]5[CH:21]([NH:22][CH2:23][CH2:24][CH2:25]5)[CH2:29]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

참가 물질

반응물 2

HCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 5154241Octahydro-1H-pyrrolo[3,4-b]pyridine

생성물 1

HCID 4831637-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid

출처 및 근거

ORD 기록: ord-6c0ff07fc8ec43c491dc9d2a9ed797fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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