4-carboxy-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one → 6-(2,4-difluorophenyl)-4-hydroxymethyl-2-isobutyl-2H-pyridazin-3-one

반응식

[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][N:7]([c:8]2[c:9](=[O:10])[n:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[n:16][c:17](-[c:18]3[cH:19][cH:20][c:21]([F:22])[c:23]([F:24])[cH:25]3)[c:26]2[CH3:27])[CH2:28][CH2:29]1)=[O:30])([CH3:31])([CH3:32])[CH3:33].[C:34](=[O:35])([OH:36])[c:37]1[c:38](=[O:55])[n:39]([CH2:51][CH:52]([CH3:53])[CH3:54])[n:40][c:41](-[c:43]2[c:44]([F:50])[cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:42]1>>[CH2:34]([OH:35])[c:37]1[c:38](=[O:55])[n:39]([CH2:51][CH:52]([CH3:53])[CH3:54])[n:40][c:41](-[c:43]2[c:44]([F:50])[cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:42]1

참가 물질

반응물 2

HCID 219916134-carboxy-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one

HCID 672132104-(4-tert-butoxycarbonyl-1-piperazinyl)-methyl-6-(3,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one

생성물 1

HCID 219916626-(2,4-difluorophenyl)-4-hydroxymethyl-2-isobutyl-2H-pyridazin-3-one

출처 및 근거

ORD 기록: ord-cd52f7089c324c6cb65c528a51803152
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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