Dimethyl Sulfoxide → PD 135042

반응식

[CH2:22]1[CH2:23][NH:24][CH2:25][CH2:26][NH:27]1.[CH3:28][S:29](=[O:30])[CH3:31].[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:24]4[CH2:23][CH2:22][NH:27][CH2:26][CH2:25]4)[c:12]([O:14][CH3:15])[c:13]23)[CH2:2][CH2:3]1

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 4837Piperazine

HCID 70194651-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

생성물 1

HCID 465562PD 135042

출처 및 근거

ORD 기록: ord-e9bfd7aef98d4c0581b448844962b9a1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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