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Dimethylformamide → 4-Methyl-[2,2']bipyrimidinyl-5-carboxylic acid (5-fluoro-3-methyl-pyrrolo[3,2-b]pyridin-1-yl)-amide

HRID 302151
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HRID 302151 반응식
[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[F:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([n:23]1)[c:24]([CH3:28])[cH:25][n:26]2[NH2:27].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:14](=[O:15])[OH:16])[c:11]([CH3:13])[n:12]2)[n:3][cH:4][cH:5][cH:6]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:14](=[O:16])[NH:27][n:26]3[c:21]4[cH:20][cH:19][c:18]([F:17])[n:23][c:22]4[c:24]([CH3:28])[cH:25]3)[c:11]([CH3:13])[n:12]2)[n:3][cH:4][cH:5][cH:6]1
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7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 616999854-Methyl-2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acidHCID 685521755-Fluoro-3-methyl-pyrrolo[3,2-b]pyridin-1-ylamine

생성물

1
HCID 592000374-Methyl-[2,2']bipyrimidinyl-5-carboxylic acid (5-fluoro-3-methyl-pyrrolo[3,2-b]pyridin-1-yl)-amide

출처 및 근거

ORD 기록
ord-35a63737ad4149cfabeb83c13124bf98
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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