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Acetonitrile → 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HRID 106323
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반응식

HRID 106323 반응식
[CH2:30]1[CH2:31][CH2:32][C:33]2=[N:38][CH2:37][CH2:36][CH2:35][N:34]2[CH2:39][CH2:40]1.[CH3:22][NH:23][CH2:24][CH:25]1[CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:41][C:42]#[N:43].[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[cH:9][c:10]([F:17])[c:11]([F:16])[c:12]([O:14][CH3:15])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[cH:9][c:10]([F:17])[c:11]([N:27]4[CH2:26][CH:25]([CH2:24][NH:23][CH3:22])[CH2:29][CH2:28]4)[c:12]([O:14][CH3:15])[c:13]23)[CH2:2][CH2:3]1
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반응물 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 70194651-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acidHCID 13491795N-Methyl-1-(pyrrolidin-3-yl)methanamine

생성물 1

HCID 4834131-Cyclopropyl-6-fluoro-8-methoxy-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-2cf7180ec9fd40f69caf8ff35cc6ba51
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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