Hydrogen Bromide → (5-Chloro-pyridin-2-yl)-{2-[6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl}-methanone

HRID 2159586Notes

Reaction equation

HRID 2159586 reaction equation
[BrH:35].[BrH:36].[BrH:37].[C:76](=[O:77])([O-:78])[OH:79].[CH2:38]([CH3:39])[c:40]1[c:41](-[c:48]2[cH:49][cH:50][c:51]3[c:52](-[c:57]4[n:58][c:59]5[c:60]([nH:66]4)[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]5)[n:53][nH:54][c:55]3[cH:56]2)[cH:42][c:43]([F:47])[c:44]([OH:46])[cH:45]1.[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[Na+:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:10])[N:63]2[CH2:62][CH2:61][c:60]3[c:59]([nH:58][c:57](-[c:52]4[c:51]5[cH:50][cH:49][c:48](-[c:41]6[c:40]([CH2:38][CH3:39])[cH:45][c:44]([OH:46])[c:43]([F:47])[cH:42]6)[cH:56][c:55]5[nH:54][n:53]4)[n:66]3)[CH2:65][CH2:64]2)[n:6][cH:7]1

Participants

10

Reactant 9

HCID 260Hydrogen Bromide3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27628725-Chloro-2-picolinic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 1363339635-ethyl-2-fluoro-4-[3-(1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepin-2-yl)-1H-indazol-6-yl]phenol

Product 1

HCID 136263947(5-Chloro-pyridin-2-yl)-{2-[6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl}-methanone

Sources & evidence

ORD record
ord-c93670af46c04fcaaaeb1836567ab4d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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