Hydrogen Bromide → 2-{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}-isonicotinonitrile

HRID 1113726Notes

Reaction equation

HRID 1113726 reaction equation
[BrH:12].[BrH:13].[BrH:14].[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9](=[O:10])[OH:11])[n:6][cH:7][cH:8]1.[CH2:15]([CH3:16])[c:17]1[c:18](-[c:25]2[cH:26][cH:27][c:28]3[c:29](-[c:34]4[n:35][c:36]5[c:37]([nH:43]4)[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]5)[n:30][nH:31][c:32]3[cH:33]2)[cH:19][c:20]([F:24])[c:21]([OH:23])[cH:22]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:9](=[O:11])[N:40]2[CH2:39][CH2:38][c:37]3[c:36]([n:35][c:34](-[c:29]4[c:28]5[cH:27][cH:26][c:25](-[c:18]6[c:17]([CH2:15][CH3:16])[cH:22][c:21]([OH:23])[c:20]([F:24])[cH:19]6)[cH:33][c:32]5[nH:31][n:30]4)[nH:43]3)[CH2:42][CH2:41]2)[n:6][cH:7][cH:8]1

Participants

4

Reactant 3

HCID 260Hydrogen Bromide3×HCID 242137694-Cyanopyridine-2-carboxylic acidHCID 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 1362639482-{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}-isonicotinonitrile

Sources & evidence

ORD record
ord-23001ab44a9745bdaf02b69aacf72c17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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