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Dimethyl Sulfoxide → 5-Amino-6-fluoro-1-(2-fluorocyclopropyl)-7-[3-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid

HRID 113031
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반응식

HRID 113031 반응식
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][C:31]1([CH:34]2[CH:35]([F:39])[CH2:36][NH:37][CH2:38]2)[CH2:32][CH2:33]1.[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][S:48](=[O:49])[CH3:50].[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:15]3[CH:16]([F:18])[CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([F:13])[c:11]1[F:12]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:15]3[CH:16]([F:18])[CH2:17]3)[c:8]2[c:9]([CH3:14])[c:10]([N:37]2[CH2:36][CH:35]([F:39])[CH:34]([C:31]3([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:32][CH2:33]3)[CH2:38]2)[c:11]1[F:12]
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5

반응물 4

HCID 679Dimethyl SulfoxideHCID 12291N-MethylpiperidineHCID 98397425-Amino-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acidHCID 22633913tert-butyl N-[1-(4-fluoropyrrolidin-3-yl)cyclopropyl]carbamate

생성물 1

HCID 226339335-Amino-6-fluoro-1-(2-fluorocyclopropyl)-7-[3-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-d0ce1b2448f04a3f96712bb46860027a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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