N-methyl-2-pyrrolidone → 1-Cyclopropyl-6-fluoro-7-(4-oxo-1-piperidinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

반응식

[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[c:9]([CH3:16])[c:10]([F:15])[c:11]([Br:14])[cH:12][c:13]23)[CH2:2][CH2:3]1.[O:21]=[C:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[c:9]([CH3:16])[c:10]([F:15])[c:11]([N:25]4[CH2:24][CH2:23][C:22](=[O:21])[CH2:27][CH2:26]4)[cH:12][c:13]23)[CH2:2][CH2:3]1

참가 물질

반응물 3

HCID 13387N-methyl-2-pyrrolidone

HCID 337214-Piperidone

HCID 101320157-Bromo-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 189745021-Cyclopropyl-6-fluoro-7-(4-oxo-1-piperidinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

출처 및 근거

ORD 기록: ord-0fd54d070a264bd5b0b3396b61484c2e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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