1-Methylpiperazine → 6-Fluoro-2-methyl-5-(4-methylpiperazin-1-yl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid

HRID 202618노트

반응식

HRID 202618 반응식
[CH3:20][N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:19])[c:6]([C:16](=[O:17])[OH:18])[cH:7][n:8]3[c:9]2[c:10]([c:11]1[F:12])[CH2:13][CH:14]3[CH3:15]>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:19])[c:6]([C:16](=[O:17])[OH:18])[cH:7][n:8]3[c:9]2[c:10]([c:11]1[N:24]1[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]1)[CH2:13][CH:14]3[CH3:15]

참가 물질

3

반응물 2

HCID 531671-MethylpiperazineHCID 131355588,9-Difluoro-2-methyl-1,2-dihydro-6-oxo-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid

생성물 1

HCID 132695386-Fluoro-2-methyl-5-(4-methylpiperazin-1-yl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid

출처 및 근거

ORD 기록
ord-bc71655cf5854a6d955c39140cfa6b75
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

반응 노트

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