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Methanol → 2-(3-{5-[5-(1-Amino-1-methyl-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-2-hydroxymethyl-phenyl)-6-tert butyl-8-fluoro-2H-phthalazin-1-one

HRID 1145857
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HRID 1145857 반응식
[CH3:50][OH:51].[Li+:49].[NH2:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[cH:13][c:14](-[c:20]3[c:21]([CH2:22][O:23][C:24](=[O:25])[CH3:26])[c:27](-[n:31]4[c:32](=[O:46])[c:33]5[c:34]([F:45])[cH:35][c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:37][c:38]5[cH:39][n:40]4)[cH:28][cH:29][cH:30]3)[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[n:9][cH:10]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH-:48].[OH2:47]>>[NH2:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[cH:13][c:14](-[c:20]3[c:21]([CH2:22][OH:23])[c:27](-[n:31]4[c:32](=[O:46])[c:33]5[c:34]([F:45])[cH:35][c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:37][c:38]5[cH:39][n:40]4)[cH:28][cH:29][cH:30]3)[cH:15][n:16]([CH3:19])[c:17]2=[O:18])[n:9][cH:10]1
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참가 물질

7

반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 59473787Acetic acid 2-{5-[5-(1-amino-1-methyl-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-6-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-benzyl ester

생성물 1

HCID 46908997
2-(3-{5-[5-(1-Amino-1-methyl-ethyl)-pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl}-2-hydroxymethyl-phenyl)-6-tert butyl-8-fluoro-2H-phthalazin-1-one

출처 및 근거

ORD 기록
ord-00cafaffca934df88d0e105f5a2b681e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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