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Dimethyl Sulfoxide → 5-Acetamido-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 285182
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반응식

HRID 285182 반응식
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]2[c:7](=[O:25])[c:8]([C:22](=[O:23])[OH:24])[cH:9][n:10]([CH:18]3[CH:19]([F:21])[CH2:20]3)[c:11]2[c:12]([CH3:17])[c:13]([F:16])[c:14]1[F:15].[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[NH:33][C:34]1([CH:37]2[CH:38]([F:42])[CH2:39][NH:40][CH2:41]2)[CH2:35][CH2:36]1.[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][S:51](=[O:52])[CH3:53]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]2[c:7](=[O:25])[c:8]([C:22](=[O:23])[OH:24])[cH:9][n:10]([CH:18]3[CH:19]([F:21])[CH2:20]3)[c:11]2[c:12]([CH3:17])[c:13]([N:40]2[CH2:39][CH:38]([F:42])[CH:37]([C:34]3([NH:33][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:35][CH2:36]3)[CH2:41]2)[c:14]1[F:15]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 12291N-MethylpiperidineHCID 22633913tert-butyl N-[1-(4-fluoropyrrolidin-3-yl)cyclopropyl]carbamateHCID 226339395-Acetamido-6,7-difluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid

생성물 1

HCID 226339205-Acetamido-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-e700606f49c844f0bfdccbe7f0f6974e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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