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Dimethylformamide → 6-{4-[4-(4-Fluoro-benzyl)-phthalazin-1-yl]-piperazin-1-yl}-N-(2-hydroxyethyl)-N-methyl-nicotinamide

HRID 1205054
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HRID 1205054 반응식
[CH3:67][NH:68][CH2:69][CH2:70][OH:71].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][n:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[CH2:21][CH2:22]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:32][cH:33]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][n:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([c:23]4[n:24][cH:25][c:26]([C:27](=[O:28])[N:68]([CH3:67])[CH2:69][CH2:70][OH:71])[cH:30][cH:31]4)[CH2:21][CH2:22]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:32][cH:33]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 80162-(Methylamino)ethanolHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 592406356-{4-[4-(4-Fluoro-benzyl)-phthalazin-1-yl]-piperazin-1-yl}-nicotinic acid

생성물 1

HCID 59240625
6-{4-[4-(4-Fluoro-benzyl)-phthalazin-1-yl]-piperazin-1-yl}-N-(2-hydroxyethyl)-N-methyl-nicotinamide

출처 및 근거

ORD 기록
ord-a3951fb6aa014618b406989788dac487
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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