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Hydrogen Bromide → 5-{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carbonyl}-pyridine-2-carbonitrile

HRID 829559
노트
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HRID 829559 반응식
[BrH:1].[BrH:2].[BrH:3].[C:33](#[N:34])[c:35]1[n:36][cH:37][c:38]([C:39](=[O:40])[Cl:41])[cH:42][cH:43]1.[C:53](=[O:54])([O-:55])[OH:56].[CH2:4]([CH3:5])[c:6]1[c:7](-[c:14]2[cH:15][cH:16][c:17]3[c:18](-[c:23]4[n:24][c:25]5[c:26]([nH:32]4)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]5)[n:19][nH:20][c:21]3[cH:22]2)[cH:8][c:9]([F:13])[c:10]([OH:12])[cH:11]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Na+:57].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[CH2:4]([CH3:5])[c:6]1[c:7](-[c:14]2[cH:15][cH:16][c:17]3[c:18](-[c:23]4[n:24][c:25]5[c:26]([nH:32]4)[CH2:27][CH2:28][N:29]([C:39]([c:38]4[cH:37][n:36][c:35]([C:33]#[N:34])[cH:43][cH:42]4)=[O:40])[CH2:30][CH2:31]5)[n:19][nH:20][c:21]3[cH:22]2)[cH:8][c:9]([F:13])[c:10]([OH:12])[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 260Hydrogen Bromide3회HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 235126576-Cyanopyridine-3-carbonyl chlorideHCID 1363339635-ethyl-2-fluoro-4-[3-(1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepin-2-yl)-1H-indazol-6-yl]phenol

생성물 1

HCID 1362639685-{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine-6-carbonyl}-pyridine-2-carbonitrile

출처 및 근거

ORD 기록
ord-260557efb0f24168b2da01eb0b48ecf3
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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