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Hydrochloric Acid → 1-Cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

HRID 112882
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반응식

HRID 112882 반응식
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41]([CH3:42])=[O:43].[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.[ClH:21].[OH:22][CH2:23][CH:24]1[CH2:25][NH:26][CH2:27][CH:28]1[C:29]([F:30])([F:31])[F:32]>>[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:26]4[CH2:25][CH:24]([CH2:23][OH:22])[CH:28]([C:29]([F:30])([F:31])[F:32])[CH2:27]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1
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반응물 5

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 22911441[4-(Trifluoromethyl)pyrrolidin-3-yl]methanol

생성물 1

HCID 22911437
1-Cyclopropyl-6,8-difluoro-7-[3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-1550e14e10a24a909e2780202f0c4c34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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