Hydrochloric Acid → 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([F:33])[cH:17][cH:18][c:19]([CH2:21][c:22]3[n:23][nH:24][c:25](=[O:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[cH:20]2)=[O:34])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:35]>>[NH:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([F:33])[cH:17][cH:18][c:19]([CH2:21][c:22]3[n:23][nH:24][c:25](=[O:32])[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]34)[cH:20]2)=[O:34])[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 313Hydrochloric Acid

HCID 25131909Tert-butyl 4-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazine-1-carboxylate

생성물 1

HCID 117263994-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

출처 및 근거

ORD 기록: ord-16f56fc618514b1287e7326b75928676
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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